Publications


Invited articles and introductions to special issues

Becker U., Prieto M. (2006, editorial) Solid solutions: from theory to experiment. Chemical Geology, 225, 173– 175.   https://doi.org/10.1016/j.chemgeo.2005.08.013

Becker U., Ewing R.C., Wang L.M., Reich M. and Utsunomiya S. Temperature-induced nanoparticle-host interactions in natural samples. Nanohighlights, 2005.   DOI: 10.1180/EMU-notes.8.8

Becker U. (2004) Minerals II. Geotimes Highlights, electronic version, July 2004.   http://www.geotimes.org/july04/high_mineralogy2.html

Becker U. & Rosso K.M. (2003) Advances in oxide and sulfide mineral surface chemistry. Geochimica et Cosmochimica Acta, 67, 797.   https://doi.org/10.1016/S0016-7037(02)01198-5

Becker U., Jambor J., Lumpkin G. & Pasteris J. (2003) Introduction to the environmental mineralogy special issue. American Mineralogist 88, 1843-1843.   https://pubs.geoscienceworld.org/


Book Chapters

Becker U. Nanoparticle-host interactions, in: EMU Notes in Mineralogy “Nanoscopic Approaches in Earth and Planetary Sciences”, Vol. 8, 2011, 1-52.   https://doi.org/10.1180/EMU-notes.8.8

Nanomaterials - Potential Applications to Oil and Gas Industry Challenges (AEC Report, 2009).

Harrison R. & Becker U. (2001) Magnetic ordering in solid solutions, in: Solid Solutions in Silicate and Oxide Systems of Geological Importance, Notes in Mineralogy, Vol. 3, European Mineralogical Union, 349-383.   https://doi.org/10.1180/EMU-notes.3.13

Anderson, B.E., Becker, U., Helean, K.B., and Ewing, R.C. (2007a) Perrhenate and pertechnetate Behavior on iron and sulfur-bearing compounds. In D. Dunn, C. Poinssot, and B. Begg, Eds. Scientific Basis for Nuclear Waste Management XXX, 985, p. 425-430.  https://doi.org/10.1557/PROC-985-0985-NN12-09 

Vinograd V.L., Becker U. & Putnis A. (2000) Maximization of cluster entropies via an irreversible algorithm: Application to the cluster variation method. Properties of Complex Inorganic Solids, Volume II. Meike, A. Gonis, A. Turchi, P. E. A. and Rajan, K. eds., pp. 249-260, Kluwer Academic/Plenum Publishers, Dordrecht, The Netherlands.   https://doi.org/10.1007/978-1-4615-1205-9_19

Putnis A., Becker U. & Bosbach D. (1999), Mineral surface science: principles, applications and case studies. In: NATO Science Series, Mathematical and Physical Sciences Vol. 543, Microscopic properties and processes in minerals“ Dordrecht, Netherlands, 1998, 595-628.

Putnis A., Becker U. & Bosbach D. (1998) Mineraloberflächen - Eine neue Herausforderung in den Geowissenschaften. in: GEOTECHNOLOGIEN - Das System „Erde“: vom Prozessverständnis zum Erdmanagement, Senatskommission of the German Research Council, 99-108.


Peer-reviewed papers and chapters

(following the more common convention in Europe for the list of authors, I am last author for papers where I was the main advisor for a student in this research project; papers by students (**) and postdocs/research scientists (*) that I directly supervise are denoted by asterisks) 


In press



 


Published


2021

Kim, Y., Marcano, M.C., Kim, S. and Becker, U. (2021) Reduction of uranyl and uranyl-organic complexes mediated by magnetite and ilmenite: a combined electrochemical AFM and DFT study. Geochimica Cosmochimica Acta.   https://doi.org/10.1016/j.gca.2020.10.016


2020

Li, Z. and Becker, U. (2020) Relativistic multiconfiguration Dirac–Fock calculations of photoionization/electron-impact ionization, auger decay, and relaxed-orbital oscillations of Cu ionsQ. Journal of Electron Spectroscopy and Related Phenomena 19, 146994.   https://doi.org/10.1016/j.elspec.2020.146994

Marcano, M.C., Kim, S. and Becker, U. (2020) Surface interaction of crude oil, maltenes, and asphaltenes with calcite: An atomic force microscopy perspective of incipient wettability change. Applied Geochemistry 113, 104501.  https://doi.org/10.1016/j.apgeochem.2019.104501

Gebarski, B. and Becker, U. (2020) Quantum-mechanical determination of the incorporation of pentavalent plutonium into carbonate and sulfate minerals. Geochimica et Cosmochimica Acta 269, 693-710.   https://doi.org/10.1016/j.gca.2019.10.015


2019

Li, Z. and Becker, U. (2019) Chemical state effects on the Auger transitions in Cr, Fe, and Cu compounds, Journal of Electron Spectroscopy and Related Phenomena 237, 146893. https://doi.org/10.1016/j.elspec.2019.146893

Kim Y., Wolf A. S., and Becker U. (2019) Thermodynamic mixing properties of alunite supergroup minerals: Quantum-mechanical modeling and thermodynamic analysis of sulfate, chromate, selenate, phosphate and arsenate solid solutions and uranyl incorporation. Geochimica Cosmochimica Acta 248, 138-160.   https://doi.org/10.1016/j.gca.2018.11.017

Kim S., Marcano M.C., and Becker U. (2019) Mechanistic study of wettability changes on calcite by molecules containing a polar hydroxyl functional group and nonpolar benzene rings. Langmuir 35(7), 2527-2537.   https://doi.org/10.1021/acs.langmuir.8b03666

Marcano M.C., Kim S., Taylor S.D. and Becker U. (2019) Exploring wettability by imaging the adsorption of crude oil, re-dissolved asphaltene, and phenol solutions onto calcite. Implications to sorption mechanisms and molecular structure of surface-active compounds in crude oil, Chemical Geology 525(20), 462-478.   https://doi.org/10.1016/j.chemgeo.2019.07.030

Arumugam, K. and Becker, U. (2019) The basis for reevaluating the reactivity of pyrite surfaces: spin states and crystal field d-orbital splitting energies of bulk, terrace, edge, and corner Fe(II) ions. Physical Chemistry Chemical Physics (PCCP) 21, 6415-6431. https://doi.org/10.1039/C8CP05459B

Bender, W.M. and Becker, U. (2019) Quantum-mechanical investigation of the structures and energetics of uranium and plutonium incorporated into the magnetite (Fe3O4) lattice, ACS Earth Space Chem., 3(4) 637-657.  https://doi.org/10.1021/acsearthspacechem.8b00167

Cook, P., Kim, Y., Yuan, K., Marcano, M.C. and Becker, U. (2019) Electrochemical, spectroscopic, and computational investigations of redox reactions of selenium species on galena surfaces, Minerals 9(7), 437.  https://doi.org/10.3390/min9070437 

Bender, W.M. and Becker, U. (2019) Resolving the kinetics of individual aqueous reaction steps of actinyl (AnO2+ and AnO22+; An = U, Np, and Pu) tricarbonate complexes with ferrous iron and hydrogen sulfide from first principles. Radiochimica Acta, 108(3), 165-184.  https://doi.org/10.1515/ract-2018-3083


2018

Kim Y., Marcano M.C., Ellis B. R., and Becker U. (2018) Photocatalytic reduction of uranyl: Effects of organic ligands and UV light wavelengths, American Journal of Science 318(9), 949-968. DOI: 10.2475/09.2018.04

Bender, W.M. and Becker, U. (2018) Determining the kinetics of discrete aqueous redox reaction sub-steps using computational methods: application to reactions of plutonyl (PuO2+/2+) with Fe2+, Fe3+ , and hydroxyl radical (•OH), American Journal of Science 318(9), 893-920.  DOI: 10.2475/09.2018.02

Saha, S. and Becker, U. (2018) A first principle study of energetics and electronic structural responses of uranium-based coordination polymers to Np incorporation. Radiochimica Acta 106(1), 1-13.  https://doi.org/10.1515/ract-2016-2732


2017

Kim, Y., Konecke, B., Fiege, A., Simon, A. and Becker, U. (2017) An ab-initio study of the energetics and geometry of sulfide, sulfite, and sulfate incorporation into apatite: The thermodynamic basis for using this system as an oxybarometer. American Mineralogist 102(8), 1646-1656. https://doi.org/10.2138/am-2017-6044

Kim, Y., Yuan, K., Ellis, B.R. and Becker, U. (2017) Redox reactions of selenium as catalyzed by magnetite: Lessons learned from using electrochemistry and spectroscopic methods. Geochimica Et Cosmochimica Acta 199(15), 304-323.  https://doi.org/10.1016/j.gca.2016.10.039

Taylor, S.D., Becker, U., Rosso, K.M. (2017a) Electron Transfer Pathways Facilitating U(VI) Reduction by Fe(II) on Al- vs Fe-Oxides. Journal of Physical Chemistry C 121(36), 19887-19903.  https://doi.org/10.1021/acs.jpcc.7b06893

Taylor, S.D., Marcano, M.C. and Becker, U. (2017b) A first principles investigation of electron transfer between Fe(II) and U(VI) on insulating Al- vs. semiconducting Fe-oxide surfaces via the proximity effect. Geochimica Et Cosmochimica Acta 197, 305-322.  https://doi.org/10.1016/j.gca.2016.10.022  

Yuan, K., Taylor, S.D., Powell, B.A. and Becker, U. (2017) An ab initio study of the adsorption of Eu3+, Pu3+, Am3+, and Cm3+ hydroxide complexes on hematite (001) surface: Role of magnetism on adsorption. Surface Science 664, 120-128.  https://doi.org/10.1016/j.susc.2017.06.007

Walker, S.M., Marcano, M.C., Kim, S., Taylor, S.D. and Becker, U. (2017) Understanding Calcite Wettability Alteration through Surface Potential Measurements and Molecular Simulations. Journal of Physical Chemistry C 121(50), 28017-28030.  https://doi.org/10.1021/acs.jpcc.7b09565


2016

Taylor, S.D., Powell, B.A., Becker, U. (2016) Influence of the goethite (α-FeOOH) surface on the stability of distorted PuO2 and PuO2-x phases. Radiochimica Acta 104(12), 821-841.  https://doi.org/10.1515/ract-2015-2515 

Walker, S.M., Marcano, M.C., Bender, W.M., Becker, U. (2016) Imaging the reduction of chromium(VI) on magnetite surfaces using in situ electrochemical AFM. Chemical Geology 429(1), 60-74. http://dx.doi.org/10.1016/j.chemgeo.2016.02.025


2015

Saha, S. and Becker, U. (2015) The effect of the aliphatic carboxylate linkers on the electronic structures, chemical bonding and optical properties of the uranium-based metal-organic frameworks, RSC Advances 5, 26735-2674.     https://doi.org/10.1039/C5RA01335F

Taylor, S.D., Marcano, M.C., Rosso, K.M. and Becker, U. (2015) An experimental and ab initio study on the abiotic reduction of uranyl by ferrous iron, Geochimica et Cosmochimica Acta 156(1), 154-172.   https://doi.org/10.1016/j.gca.2015.01.021

Walker, S.M. and Becker, U. (2015) Uranyl (VI) and neptunyl (V) incorporation in carbonate and sulfate minerals: Insight from first-principles, Geochimica et Cosmochimica Acta 161(15) 19-35.    https://doi.org/10.1016/j.gca.2015.03.002

Yuan, K., Ewing, R.C. and Becker, U. (2015a) Thermodynamic mixing properties of the UO2-HfO2 solid solution: Density functional theory and Monte Carlo simulations. Journal of Nuclear Materials 458, 296-303.   https://doi.org/10.1016/j.jnucmat.2014.12.039

Yuan, K., Ilton, E.S., Antonio, M.R., Li, Z., Cook, P.J. and Becker, U. (2015b) Electrochemical and spectroscopic evidence on the one-electron reduction of U(VI) to U(V) on magnetite. Environmental Science & Technology 49(10), 6206-6213.  https://doi.org/10.1021/acs.est.5b00025

Yuan, K., Renock, D., Ewing, R.C. and Becker, U. (2015c) Uranium reduction on magnetite: Probing for pentavalent uranium using electrochemical methods. Geochimica et Cosmochimica Acta 156(1), 194-206.   https://doi.org/10.1016/j.gca.2015.02.014


2014

Arumugam, K. and Becker, U. (2014) Computational redox potential predictions: Applications to inorganic and organic aqueous complexes, and Complexes Adsorbed to Mineral Surfaces. Minerals 4(2), 345-387.  https://doi.org/10.3390/min4020345

Gnecco, E., Schirmeisen, A., Pina, C.M., Becker, U. (2014) Nanomanipulation and environmental nanotechnology, Beilstein Journal of Nanotechnology 5, 2079-2080.  DOI:10.3762/bjnano.5.216

Wang, J., Zhang, F., Zhang, J., Ewing, R.C., Becker, U., Cai, Z. (2014) Carbonate orientational order and superlattice structure in vaterite, Journal of Crystal Growth 407(1) 78-86.  https://doi.org/10.1016/j.jcrysgro.2014.08.028

Guo, X., Rak, Z., Tavakoli, A.H., Becker, U., Ewing, R.C., Navrotsky, A. (2014) Thermodynamics of thorium substitution in yttrium iron garnet: comparison of experimental and theoretical results, Journal of Materials Chemistry A 2, 16945.  https://doi.org/10.1039/C4TA03683B

Nelson, A.D., Rak Z., Albert-Schmitt, T.E., Becker, U., Ewing, R.C. (2014) Three new silver uranyl diphosphonates: Structures and properties. Inorganic Chemistry 53 (6), 2787-2796.  https://doi.org/10.1021/ic401897n

Shuller-Nickles, L., Bender, W.M., Walker, S.M., Becker, U. (2014) Quantum-Mechanical Methods for Quantifying Incorporation of Contaminants in Proximal Minerals, Minerlas 4(3), 690-715.  https://doi.org/10.3390/min4030690

Wang, J., Ewing, R.C., Becker, U. (2014) Average structure and local configuration of excess oxygen in UO2+x2, Scientific Reports 4, 4216.  DOI: 10.1038/srep04216

Wang, J., Ewing, R.C., Becker, U. (2014) Defect formation energy in pyrochlore: the effect of crystal size, Materials Research Express 1(3).  https://doi.org/10.1088%2F2053-1591%2F1%2F3%2F035501 


2013

**Subhashis Biswas, Udo Becker (2013) Journal of Trace Elements in Medicine and Biology, Volume 27/2, 2013, 79-84.

Athanasiadou, D., Godelitsas, A., Sokaras, D., Karydas, A.G., Dotsika, E., Potamitis, C., Zervou, M., Xanthos, S., Chatzitheodoridis, E., Gooi, H.C., Becker, U., 2013. New insights into the chemical and isotopic composition of human-body biominerals. I: Cholesterol gallstones from England and Greece. Journal of Trace Elements in Medicine and Biology 27, 79-84.  https://doi.org/10.1016/j.jtemb.2012.08.004

*Bengtson, A., Morgan, D., Becker, U., 2013. Spin state of iron in Fe3O4 magnetite and h-Fe3O4. Physical Review B 87.  https://doi.org/10.1103/PhysRevB.87.155141

Estes, S.L., Arai, Y., Becker, U., Fernando, S., Yuan, K., Ewing, R.C., Zhang, J.M., Shibata, T., Powell, B.A., 2013. A self-consistent model describing the thermodynamics of Eu(III) adsorption onto hematite. Geochimica et Cosmochimica Acta 122, 430-447.  https://doi.org/10.1016/j.gca.2013.08.023

*Rak, Z., Ewing, R.C., Becker, U., 2013a. Electronic structure and thermodynamic stability of uranium-doped yttrium iron garnet. Journal of Physics-Condensed Matter 25.  DOI: 10.1088/0953-8984/25/49/495502

*Rak, Z., Ewing, R.C., Becker, U., 2013b. Ferric garnet matrices for immobilization of actinides. Journal of Nuclear Materials 436, 1-7.  https://doi.org/10.1016/j.jnucmat.2013.01.290

*Rak, Z., Ewing, R.C., Becker, U., 2013c. Hydroxylation-induced surface stability of AnO2 (An = U, Np, Pu) from first-principles. Surface Science 608, 180-187.  https://doi.org/10.1016/j.susc.2012.10.002

*Rak, Z., Ewing, R.C., and Becker, U. (2013) Actinide Incorporation in the Garnet Structure. Journal of Nuclear Materials, 436, 1-7.  https://doi.org/10.1103/PhysRevB.83.155123

**Renock, D., Mueller, M., Yuan, K., Ewing, R.C., Becker, U., 2013. The energetics and kinetics of uranyl reduction on pyrite, hematite, and magnetite surfaces: A powder microelectrode study. Geochimica et Cosmochimica Acta 118, 56-71.  https://doi.org/10.1016/j.gca.2013.04.019

**Shuller, L.C., Ewing, R.C., Becker, U., 2013. Np-incorporation into uranyl phases: A quantum-mechanical evaluation. Journal of Nuclear Materials 434, 440-450.  https://doi.org/10.1016/j.jnucmat.2011.04.016

**Shuller-Nickles, L.C., Ewing, R.C., Becker, U., 2013. Atomistic calculations of the thermodynamic properties of mixing for tetravalent metal dioxide solid solutions: (Zr, Th, Ce)O2. Journal of Solid State Chemistry 197, 550-559.  https://doi.org/10.1016/j.jssc.2012.08.033 

**Skomurski, F.N., Wang, J.W., Ewing, R.C., Becker, U., 2013. Charge distribution and oxygen diffusion in hyperstoichiometric uranium dioxide UO2+x (x <= 0.25). Journal of Nuclear Materials 434, 422-433.  https://doi.org/10.1016/j.jnucmat.2011.09.003

*Wang, J.W., Becker, U., 2013. Activation energetics of actinide diffusion in UO2 from first-principles calculations. Journal of Nuclear Materials 433, 424-430.  https://doi.org/10.1016/j.jnucmat.2012.10.011

*Wang, J.W., Ewing, R.C., Becker, U., 2013b. Electronic structure and stability of hyperstoichiometric UO2+x under pressure. Physical Review B 88.  https://doi.org/10.1103/PhysRevB.88.024109

*Wang, J.W., Lang, M., Ewing, R.C., Becker, U., 2013c. Multi-scale simulation of structural heterogeneity of swift-heavy ion tracks in complex oxides. Journal of Physics-Condensed Matter 25.  https://doi.org/10.1088%2F0953-8984%2F25%2F13%2F135001

Biswas, S., Becker, U., Molecular modeling of cell adhesion peptide adsorption on hydroxyapatite and TiO2 surfaces: Implication in biomedical implant devices, Journal of Biomaterials and Nanobiotechnology 4, 351-356.  http://dx.doi.org/10.4236/jbnb.2013.44044


2012


**Hu, Q., Nielsen, M.H., Freeman, C.L., Hamm, L.M., Tao, J., Lee, J.R.I., Han, T.Y.J., Becker, U., Harding, J.H., Dove, P.M., and De Yoreo, J.J. (2012a) The thermodynamics of calcite nucleation at organic interfaces: Classical vs. non-classical pathways. Faraday Discussions, 159, 509-523.   https://doi.org/10.1039/C2FD20124K

**Hu, Q.N., Zhang, J.M., Teng, H., and Becker, U. (2012b) Growth process and crystallographic properties of ammonia-induced vaterite. American Mineralogist, 97(8-9), 1437-1445.  https://doi.org/10.2138/am.2012.3983

*Bengtson, A., Ewing, R.C., and Becker, U. (2012a) He diffusion and closure temperatures in apatite and zircon: A density functional theory investigation. Geochimica Et Cosmochimica Acta, 86, 228-238.   https://doi.org/10.1016/j.gca.2012.03.004

*Bengtson, A., Ewing, R.C., and Becker, U. (2012b) He diffusion and closure temperatures in apatite and zircon: A density functional theory investigation (vol 86, pg 228, 2012). Geochimica Et Cosmochimica Acta, 98, 202-202.         https://doi.org/10.1016/j.gca.2012.03.004

*Wang, J.W., and Becker, U. (2012) Energetics and kinetics of carbonate orientational ordering in vaterite calcium carbonate. American Mineralogist, 97(8-9), 1427-1436.  https://doi.org/10.2138/am.2012.3990


2011


*Rak, Z., Ewing, R.C., and Becker, U. (2011) First-principles investigation of Ca3(Ti, Zr, Hf, Sn)2Fe2SiO12 garnet structure for incorporation of actinides. Physical Review B, 83(15).   https://doi.org/10.1103/PhysRevB.83.155123

*Rak, Z., Ewing, R.C., and Becker, U. (2011) Role of iron in the incorporation of uranium in ferric garnet matrices. Physical Review B, 84(15).  https://doi.org/10.1103/PhysRevB.84.155128

*Renock, D., and Becker, U. (2011) A first principles study of coupled substitution in galena. Ore Geology Reviews, 42(1), 71-83.  https://doi.org/10.1016/j.oregeorev.2011.04.001

**Shuller, L.C., Ewing, R.C., and Becker, U. (2011) Thermodynamic properties of ThxU1-xO2 (0 < x < 1) based on quantum-mechanical calculations and Monte-Carlo simulations. Journal of Nuclear Materials, 412(1), 13-21.   https://doi.org/10.1016/j.jnucmat.2011.01.017

*Wang, J.W., Rak, Z., Zhang, F.X., Ewing, R.C., and Becker, U. (2011b) Electronic structure and energetics of tetragonal SrCuO2 and its high-pressure superstructure phase. Journal of Physics-Condensed Matter, 23(46).  https://doi.org/10.1088%2F0953-8984%2F23%2F46%2F465503

*Wang, J.W., Zhang, F.X., Lian, J., Ewing, R.C., and Becker, U. (2011c) Energetics and concentration of defects in Gd2Ti2O7 and Gd2Zr2O7 pyrochlore at high pressure. Acta Materialia, 59(4), 1607-1618.   https://doi.org/10.1016/j.actamat.2010.11.025


2010

Sethmann, I., Wang, J. W., Becker, U., and Putnis, A., 2010. Strain-Induced Segmentation of Magnesian Calcite Thin Films Growing on a Calcite Substrate. Crystal Growth & Design 10, 4319-4326.    https://doi.org/10.1021/cg100202h

*Wang, J. W., Lu, H. L., Ripmeester, J. A., and Becker, U., 2010. Molecular-Dynamics and First-Principles Calculations of Raman Spectra and Molecular and Electronic Structure of Hydrogen Clusters in Hydrogen Clathrate Hydrate. Journal of Physical Chemistry C 114, 21042-21050.    https://doi.org/10.1021/jp106788u

+*Shuller, L.C., Ewing, R.C., Becker, U. (2010) Quantum-mechanical evaluation of Np incorporation into studtite. American Mineralogist, 95, 1151-1160.   https://doi.org/10.2138/am.2010.3493

+*Renock D., and Becker U. (2010) A first principles study of the oxidation energetics and kinetics of realgar, Geochimica et Cosmochimica Acta, 74, 4266-4284.   https://doi.org/10.1016/j.gca.2010.05.003

+*Ferriss, E. D. A., Ewing, R. C., Becker U. (2010) Simulation of thermodynamic mixing properties of actinide-containing zircon solid solutions, American Mineralogist, 95, 229-241.   https://doi.org/10.2138/am.2010.3318


2009

Lang, M., Zhang, F.X., Zhang, J.M., Wang, J.W., Schuster, B., Trautmann, C., Neumann, R., Becker, U., and Ewing, R.C. (2009) Nanoscale manipulation of the properties of solids at high pressure with relativistic heavy ions. Nature Materials, 8(10), 793-797.   https://doi.org/10.1038/nmat2528

*Lim, D.H., Lastoskie, C.M., Soon, A., and Becker, U. (2009) Density Functional Theory Studies of Chloroethene Adsorption on Zerovalent Iron. Environmental Science & Technology, 43(4), 1192-1198.  https://doi.org/10.1021/es802523a

Pointeau, V., Deditius, A.P., Miserque, F., Renock, D., Becker, U., Zhang, J., Clavier, N., Dacheux, N., Poinssot, C., and Ewing, R.C. (2009) Synthesis and characterization of coffinite. Journal of Nuclear Materials, 393(3), 449-458.   https://doi.org/10.1016/j.jnucmat.2009.06.030

+*Renock, D., Gallegos, T., Utsunomiya, S., Hayes, K., Ewing, R.C., and Becker, U. (2009) Chemical and structural characterization of As immobilization by nanoparticles of mackinawite (FeSm). Chemical Geology, 268(1-2), 116-125.   https://doi.org/10.1016/j.chemgeo.2009.08.003

+Segvich, S., Biswas, S., Becker, U., and Kohn, D.H. (2009) Identification of Peptides with Targeted Adhesion to Bone-Like Mineral via Phage Display and Computational Modeling. Cells Tissues Organs, 189(1-4), 245-251. https://doi.org/10.1159/000151380

+*Shuller, L.C., Pavenayotin, N., Ewing, R.C., and Becker, U. (2009) Thermodynamic Properties of Actinide-Oxide Solid-Solutions. In C.C. Fu, A. Kimura, M. Samaras, M.S. DeCaro, and R.E. Stoller, Eds. Materials for Future Fusion and Fission Technologies, 1125, p. 95-100.  https://doi.org/10.1557/PROC-1125-R10-06 

Zhang, F.X., Pointeau, V., Shuller, L.C., Reaman, D.M., Lang, M., Liu, Z.X., Hu, J.Z., Panero, W.R., Becker, U.,Poinssot, C., and Ewing, R.C. (2009) Structural transitions and electron transfer in coffinite, USiO4, at high pressure. American Mineralogist, 94(7), 916-920.  https://doi.org/10.2138/am.2009.3111

*Zhen, C.G., Becker, U., and Kieffer, J. (2009) Tuning Electronic Properties of Functionalized Polyhedral Oligomeric Silsesquioxanes: A DFT and TDDFT Study. Journal of Physical Chemistry A, 113(35), 9707-9714. (2)   https://doi.org/10.1021/jp903796m

*Wang J. and Becker U. (2009) Structure and carbonate orientation of vaterite (CaCO3), American Mineralogist 94, 380-386.  DOI: 10.2138/am.2009.2939

Deditius, A. P., Utsunomiya, S., Renock, D., Ewing, R. C., Ramana, C. V., Becker, U., and Kesler, S. E., 2008. A proposed new type of arsenian pyrite: Composition, nanostructure and geological significance. Geochimica et Cosmochimica Acta 72, 2919-2933.   https://doi.org/10.1016/j.gca.2008.03.014


2008

*Ferriss, E.D.A., Essene, E., Becker, U. (2008), Computational study of the effect of pressure on the Ti-in-zircon geothermometer, European Journal of Mineralogy, 20 (5), 745-755.  https://doi.org/10.1127/0935-1221/2008/0020-1860

*Ramana, C. V., Becker, U., Shutthanandan, V., and Julien, C. M., 2008a. Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics. Geochemical Transactions 9, Article 8 (8 pages).   https://doi.org/10.1186/1467-4866-9-8

*Ramana, C. V., Utsunomiya, S., Ewing, R. C., Becker, U., Atuchin, V. V., Aliev, V. S., and Kruchinin, V. N., 2008b. Spectroscopic ellipsometry characterization of the optical properties and thermal stability of ZrO2 films made by ion beam assisted deposition. Applied Physics Letters 92, Art. No. 011917   https://doi.org/10.1063/1.2811955

+*Skomurski, F. N., Shuller, L. C., Ewing, R. C., and Becker, U., 2008. Corrosion of UO2 and ThO2: A quantum mechanical investigation. Journal of Nuclear Materials 375, 290-310.  https://doi.org/10.1016/j.jnucmat.2007.12.007 

Zhang, F. X., Lang, M., Becker, U., Ewing, R. C., and Lian, J., 2008a. High pressure phase transitions and compressibilities of Er2Zr2O7 and Ho2Zr2O7. Applied Physics Letters 92, Art. No. 011909   https://doi.org/10.1063/1.2830832

Zhang, F. X., Lang, M., Wang, J. W., Becker, U., and Ewing, R. C., 2008b. Structural phase transitions of cubic Gd2O3 at high pressures. Physical Review B 78, Art. No. 064114    https://doi.org/10.1103/PhysRevB.78.064114

Zhang, F.X., Wang, J.W., Lian, J., Lang, M.K., Becker, U., Ewing, R.C. (2008) Phase stability and pressure dependence of defect formation in Gd2Ti2O7 and Gd2Zr2O7 Pyrochlore. Physical Review Letters, 100, 0455031-0455034   https://doi.org/10.1103/PhysRevLett.100.045503


2007

*Reich M., Ewing R.C., Ehlers T.A., and Becker U., (2007) Low-temperature anisotropic diffusion of helium in zircon. Geochimica et Cosmochimica Acta, 71, 3119-3130.    https://doi.org/10.1016/j.gca.2007.03.033

*Ramana, C.V., Atuchin, V.V., Pokrovsky, L.D., Isaenko, L.I., Zhurkov, S.A., Merkulov, A.A., Becker, U., and Ewing, R.C. (2007) Low-energy Ar+ ion-beam-induced amorphization and chemical modification of potassium titanyl arsenate surfaces. Journal of Physical Chemistry C, 111, 2702-2708.    https://doi.org/10.1021/jp0671392

*Ramana, C.V., Atuchin, V.V., Pokrovsky, L.D., Becker, U., and Julien, C.M. (2007) Structure and chemical properties of molybdenum oxide thin films, Journal of Vacuum Science and Technology A, 25, 1166-1171.   https://doi.org/10.1116/1.2747628

*Ramana, C.V., Atuchin, V.V., Kesler, V.G., Kochubey, V.A., Pokrovsky, L.D., Shutthanandan, V., and Becker, U. (2007) Growth and surface characterization of sputter deposited molybdenum oxide thin films. Applied Surface Science 253, 5368-5374.  https://doi.org/10.1016/j.apsusc.2006.12.012

Zhang, F.X., Lian, J., Becker, U., Wang, L.M., Ewing, R.C., Boatner, A.L., Saxena, S., and Hu, J.Z. (2007) Structural changes of layered perovskite La2Ti2O7 at high pressures. Journal of Solid State Chemistry, 180, 576.   https://doi.org/10.1016/j.jssc.2006.11.022

Zhang, F.X., Lian, J., Becker, U., Ewing, R.C., Saxena, S. (2007) High pressure structural changes in pyrochlore Gd2Zr2O7. Physical Review B, 76, 214104.    https://doi.org/10.1103/PhysRevB.76.214104

Zhang, F.X., Lian, J., Becker, U., Wang, L.M., Hu, J.Z., Saxena, S., Ewing, R.C. (2007) Structural distortion and phase transition of pyrochlore Sm2Zr2O7 at high pressures, Chem. Phys. Lett. 441, 216.  https://doi.org/10.1021/ja074290w

Zhang, F.X., Wang, J.W., Lian, J., Becker, U., Ewing, R.C., Saxena, S., Hu, J.Z. (2007) Pressure-induced splitting and and buckling of CuO chains in low-dimensional compound SrCuO2. Journal of the American Chemical Society, 129, 13923.     https://doi.org/10.1021/ja074290w


2006

+*Reich, M., Utsunomiya, S., Kesler, S.E., Wang, L.M., Ewing, R.C., and Becker, U. (2006a) Thermal behavior of metal nanoparticles in geologic materials. Geology, 34(12), 1033-1036.  https://doi.org/10.1130/G22829A.1

+*Reich, M., and Becker, U. (2006) First-principles calculations of the thermodynamic mixing properties of arsenic incorporation into pyrite and marcasite. Chemical Geology, 225, 278-290.  https://doi.org/10.1016/j.chemgeo.2005.08.021

Zhang, F.X., Lian, J., Becker, U., Ewing, R.C., Wang, L.M., Boatner, L.A., Hu, J.Z., Saxena, S.K. (2006) Pressure-induced structural transitions and phase decomposition in the Cd2Nb2O7 pyrochlore. Physical Review B, 74(17), 174116.  https://doi.org/10.1103/PhysRevB.74.174116

*Skomurski, F.N., Ewing, R.C., Rohl, A.L., Gale, J.D., and Becker, U. (2006) Quantum mechanical vs. empirical potential modeling of uranium dioxide (UO2) surfaces: (111), (110), and (100). American Mineralogist, 91, 1761-1772.    https://doi.org/10.2138/am.2006.2180

*Ramana, C.V., Ait-Salah, A., Utusunomiya, S., Becker, U., Mauger, A., Gendron, F., and Julien C.M. (2006a) Structural characteristics of lithium nickel phosphate studied using analytical electron microscopy and Raman spectroscopy. Chemistry of Materials, 18, 3788-3794.     https://doi.org/10.1021/cm061137c

*Ramana, C.V., Utsunomiya, S., Ewing, R.C., Julien, C.M., Becker, U., (2006) Structural stability and phase transitions in WO3 thin films. Journal of Physical Chemistry B, 110, 10430-10435.  https://doi.org/10.1021/jp056664i

+*Ramana C.V., Utsunomiya S.,  Ewing R.C., Becker U., (2006) Formation of V2O3 nanocrystals by thermally-induced vacuum reduction of V2O5 thin films. Solid State Communications, 137, 645-649.    https://doi.org/10.1016/j.ssc.2006.01.026

*Becker U., Risthaus P., Brandt F., Bosbach D. (2006) Thermodynamic properties and crystal growth behavior of the hashemite (BaSO4-BaCrO4) solid solution. Chemical Geology, 225, 244-255.    https://doi.org/10.1016/j.chemgeo.2005.08.018


2005

+*Becker U., Biswas S., Kendall T., Risthaus P., Putnis C. V., Pina C. M. (2005) Interactions between Mineral Surfaces and Dissolved Species: From Monovalent Ions to Complex Organic Molecules. American Journal of Science, 2005, 791–825.    DOI: 10.2475/ajs.305.6-8.791

*Ramana C.V., Utsunomiya S., Ewing R.C., Julien C.M., & Becker U. (2005) Electron microscopy investigation of structural transformations in tungsten oxide (WO3) thin films,  Physica Status Solidi (A): Applied Physics and Materials Applications 202 R 108 – R 110 (Rapid Research Letter).    https://doi.org/10.1002/pssa.200521076

+Gasharova B., Göttlicher J. & Becker U. (2005) Dissolution at the surface of jarosite: an in situ AFM study. Chemical Geology, Special Issue on Sulfate Minerals, 215, 499– 516.  https://doi.org/10.1016/j.chemgeo.2004.06.054

*Kendall T.A., Hochella M.F., Jr. & Becker U. (2005) Computational modeling of azotobactin-goethite/diaspore interactions: applications to molecular force measurements and siderophore-mineral reactivity, Chemical Geology, 216, 17-35.    https://doi.org/10.1016/j.chemgeo.2004.10.007


2004

+Pina C.M., Putnis C.V., Becker U., Biswas S., Carroll E.C., Bosbach D., & Putnis A. (2004) The inhibition of barite growth by phosphonates: determination of adsorption isotherms by atomic force microscopy, Surface Science, 553, 61–74.    https://doi.org/10.1016/j.susc.2004.01.022

Vinograd V., Shuiter, M.H.F., Winkler B., Putnis A., Hålenius U., Gale J.D., andBecker U. (2004) Thermodynamics of mixing and ordering in pyrope-grossular solid solution. Mineralogical Magazine 68, 101-121.     https://doi.org/10.1180/0026461046810174


2003

Becker U., Rosso K.M., Weaver R., Warren M. & Hochella M.F. .Jr. (2003) Metal island growth and dynamics on molybdenite surfaces. Geochimica et Cosmochimica Acta, 67, 923-934.    https://doi.org/10.1016/S0016-7037(02)01144-4

Rosso K.M. & Becker U. (2003) Proximity effects on semiconducting mineral surfaces II: Distance dependence of indirect interactions. Geochimica et Cosmochimica Acta, 67, 941-953.  https://doi.org/10.1016/S0016-7037(02)00990-0


2002

Becker U. & Pollok K. (2002) Molecular simulations of interfacial and thermodynamic mixing properties of the grossular-andradite garnets. Physics and Chemistry of Minerals, 29, 52-64.  https://doi.org/10.1007/s002690100211

+Becker U., Risthaus P., Bosbach D. & Putnis A. (2002) Selective attachment of monovalent background electrolyte ions and growth inhibitors to polar steps on sulfates as studied by molecular simulations and AFM observations.  In: de Leeuw N. (ed.) "Calcite and Related Materials: Crystal Growth and Dissolution", Molecular Simulation, 28, 607-632.    https://doi.org/10.1080/08927020290030161


2001

+Becker U. & Gasharova B. (2001) AFM observations and simulations of jarosite growth at the molecular scale: probing the basis for the incorporation of foreign ions into jarosite as a storage mineral. Physics and Chemistry of Minerals, 28, 545-556.    https://doi.org/10.1007/s002690100188

Becker U. & Rosso K. (2001) Step edges on galena (100): probing the basis for defect driven surface reactivity at the atomic scale. American Mineralogist, 86, 862-870.  DOI:10.2138/am-2001-0709

+Becker U., Rosso K. & Hochella M.F., Jr. (2001) The proximity effect on semiconducting mineral surfaces: A new aspect of mineral surface reactivity and surface complexation theory? Geochimica et Cosmochimica Acta, 65, 2641-2649.    https://doi.org/10.1016/S0016-7037(01)00624-X

*Risthaus P., Bosbach D., Becker U. & Putnis A. (2001) Barite scale formation and dissolution at high ionic strength studied with atomic force microscopy. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 191, 201-214.    https://doi.org/10.1016/S0927-7757(00)00843-8


2000

Becker U., Fernández-González A., M., Harrison R., & Putnis A. (2000) Direct calculation of thermodynamic properties of the barite/celestite solid solution from molecular principles, Physics and Chemistry of Minerals, 27, 291-300.    https://doi.org/10.1007/s002690050258

Harrison R., Becker U. & Redfern S. (2000) Thermodynamics of the R to Rc phase transition in the ilmenite-hematite solid solution, American Mineralogist, 85, 1694-1705.    https://doi.org/10.1007/BF00303452

Prieto M., Fernández-González A., Becker U. & Putnis A. (2000) Computing Lippmann diagrams from direct calculation of mixing properties of solid solutions: application to the barite-celestite system. Aquatic Geochemistry, 6, 133-146.    https://doi.org/10.1023/A:1009642619137

Rosso K.M., Becker U. & Hochella M.F., Jr. (2000) Surface defects and self-diffusion on pyrite {100} using ultra-high vacuum scanning tunneling microscopy and theoretical modeling. American Mineralogist, 85, 1428-1436.    https://doi.org/10.2138/am-2000-1011


1999

Rakovan J., Becker U. & Hochella M. F. (1999) Aspects of goethite surface microtopography, structure, chemistry, and reactivity. American Mineralogist 84, 884-894.     https://doi.org/10.2138/am-1999-5-624

Rosso, K.M., Becker, U. & Hochella, M.F. Jr. (1999a) The interaction of pyrite {100} surfaces with O2 and H2O: fundamental oxidation mechanisms, American Mineralogist, 84, 1549-1561.    https://doi.org/10.2138/am-1999-1008

Rosso K.M., Becker U. & Hochella, M.F. Jr. (1999b) Atomically resolved electronic structure of pyrite {100} surfaces: an experimental and theoretical investigation with implications for reactivity, American Mineralogist, 84, 1535-1548.     https://doi.org/10.2138/am-1999-1007


1998

Pina C., Becker U., Risthaus P., Bosbach D. & Putnis A. (1998) Molecular-scale mechanisms of crystal growth in barite, Nature, 395, 483-486.    https://doi.org/10.1038/26718


1997

+Becker U. & Peiffer S. (1997), Heavy metal ion complexation by particulate matter in the leachate of solid waste: A multi-method approach. Journal of Contaminant Hydrology, 24, 313-344.    https://doi.org/10.1016/S0169-7722(96)00016-2

Becker U., Greatbanks S.P., Rosso K.M., Hillier I.H. & Vaughan D.J. (1997a) An embedding approach for the calculation of STM images: method development and application to galena (PbS), Journal of Chemical Physics, 107, 7537-7542.     https://doi.org/10.1063/1.474992

+Becker U., Munz A.W., Lennie A.R., Thornton G. & Vaughan D.J. (1997b) The atomic and electronic structure of the (001) surface of monoclinic pyrrhotite (Fe7S8) as studied by using STM, LEED, and quantum mechanical calculations, Surface Science, 389, 66-87.    https://doi.org/10.1016/S0039-6028(97)00370-1

Becker U., Hochella M.F. Jr. & Vaughan D.J. (1997c) The adsorption of gold to galena surfaces: calculation of adsorption/reduction energies, reaction mechanisms, XPS spectra, and STM images, Geochimica et Cosmochimica Acta 61, 3565-3585.   https://doi.org/10.1016/S0016-7037(97)00188-9

Vaughan D.J., Becker U. & Wright K. (1997) Sulphide mineral surfaces: theory and experiment, International Journal of Mineral Processing, 51, 1-14.    https://doi.org/10.1016/S0301-7516(97)00035-5


1996

+Becker U. & Hochella M.F. Jr. (1996) The calculation of STM images, STS spectra and XPS peak shifts for galena: new tools for understanding mineral surface chemistry. Geochimica et Cosmochimica Acta, 60, 2413-2426.    https://doi.org/10.1016/0016-7037(96)00094-4

Becker U., Hochella M.F. Jr. & Aprá E. (1996) The electronic structure of hematite {001} surfaces: applications to the interpretation of STM images and heterogeneous surface reactions, American Mineralogist, 81, 1301-1314.      https://doi.org/10.2138/am-1996-11-1201

Bosbach D., Junta-Rosso J.L., Becker U. & Hochella M.F. Jr. (1996) Gypsum growth in the presence of background electrolytes studied by scanning force microscopy, Geochimica et Cosmochimica Acta, 60, 3295-3304.    https://doi.org/10.1016/0016-7037(96)00147-0


1994

Peiffer S., Becker U. & Herrmann R. (1994) The role of particulate matter in the mobilization of trace metals during anaerobic digestion of solid waste material, Acta Hydrochim. Hydrobiol. 22, 130-137.        https://doi.org/10.1002/aheh.19940220305


1993

Becker U., Denninger G., Dyakonov V., Gotschy B., Klos H., Rösler G., Hirsch A. & Winter H. (1993) C60-tetraphenylphosphonium+: an organic alloy. Europhysics Letters 21, 267-271.      DOI:  10.1209/0295-5075/21/3/003


Proceedings

Niu, J.J., Becker, U., and Ewing, R. (2012) In situ AFM and XPS Investigation of U6+ Reduction by Fe2+ on Hematite and Pyrite. In D. Anderson, C.H. Booth, P.C. Burns, R. Caciuffo, R. Devanathan, T. Durakiewicz, M. Stan, V. Tikare, and S.W. Yu, Eds. Actinides and Nuclear Energy Materials, 1444, p. 243-248.    https://doi.org/10.1557/opl.2012.949

Shuller, L.C., Pavenayotin, N., Skomurski, F.N., Ewing, R.C., Becker, U. (2008) Thermodynamic properties of actinide-zirconium dioxide solid-solutions relevant for advanced nuclear fuels. Waste Management Symposia   https://www.semanticscholar.org/

Anderson, B. E., Helean, K. B., Bryan, C. R., Brady, P. V., and Ewing, R. C. (2008) Waste Package Corrosion Studies Using Small Mockup Experiments, in Scientific Basis for Nuclear Waste Management XXXI, Eds. , Materials Research Society Symposium Proceedings 1107, xxx-xxx.   https://doi.org/10.1557/PROC-1107-519

Shuller L.C., Ewing R.C., and Becker U. (2008) Np-incorporation into K-boltwoodite. in Scientific Basis for Nuclear Waste Management XXXI, Eds. , Materials Research Society Symposium Proceedings 1107, xxx-xxx.   https://doi.org/10.1557/PROC-1107-455

Ramana, C.V., Utsunomiya, S., Becker, U., Ewing, R.C., Mauger, A., Gendron, F., Zaghib, K., and Julien, C.M. (2007) Synthesis, structure and electrochemical properties of Li4Ti5O12. Mobile Energy Materials Research Society Proceedings, 973E, 0973-BB05-09.   https://doi.org/10.1557/PROC-0973-BB05-09

Anderson B.E., Becker, U., Helean, K.B., and Ewing, R.C. (2006) Perrhenate and Pertechnetate Behavior on Iron and Sulfur-Bearing Compounds, in Scientific Basis for Nuclear Waste Management XXX, Eds. Darrell Dunn, Christophe Poinssot, and Bruce Begg, Materials Research Society Symposium Proceedings 985, xxx-xxx.    https://doi.org/10.1557/PROC-985-0985-NN12-09

Shuller L.C., Ewing R.C., and Becker U. Np-incorporation into uranyl phases: A quantum-mechanical approach. in Scientific Basis for Nuclear Waste Management XXX, Eds. Darrell Dunn, Christophe Poinssot, and Bruce Begg, Materials Research Society Symposium Proceedings 0985-NN12-03.   https://doi.org/10.1557/PROC-985-0985-NN12-03

Skomurski, F.N., Becker, U., Ewing, R.C. (2007) Computational investigation of the formation of hyperstoichiometric uranium dioxide (UO2+x), in Scientific Basis for Nuclear Waste Management XXX, Eds. Darrell Dunn, Christophe Poinssot, and Bruce Begg, Materials Research Society Symposium Proceedings 985, xxx-xxx.    https://doi.org/10.1557/PROC-985-0985-NN05-05

Reich, M., Utsunomiya, S., Ewing, R.C., and Becker, U. (2007) Nanoparticle-host interaction in the solid state: temperature-induced dissolution and growth of natural gold nanoparticles in arsenian pyrite.  In Proceedings NANOPEPS (Nanoscale Processes in Earth and Planetary Sciences) Workshop, January 11-13, Albuquerque, New Mexico.    

Becker, U., Ewing, R.C., Wang, L.M., Reich, M., and Utsunomiya, S. (2005) Temperature-induced nanoparticle-host interactions in natural samples. In Proceedings NSF Nanoscale Science and Technology Grantee Conference en National Science Foundation, Arlington, Virginia.    

Becker, U., Ewing, R.C., Wang, L.M., Reich, M., and Utsunomiya , S. (2004) Gold nanoparticles in arsenic-rich sulfides as an example of nanoscience and technology impact in geological sciences. In Proceedings NSF Nanoscale Science and Technology Grantee Conference en National Science Foundation, Arlington, VA.

Klos H., Becker U., Dyakonov V., Gotschy B., Denninger G., Rösler G. & Hirsch A. (1993), EPR and Overhauser shift on P4+C60- and KxC60. in Electronic Properties of Fullerenes. Proceedings of the International Winterschool on Electronic Properties of Novel Materials. Kuzmany H., Fink J., Mehring M., Roth S. (editors) Berlin, Germany: Springer-Verlag, p. 344-347.


Abstracts

Becker, U. and Bender, W.M. (invited, Goldschmidt 2018) Kinetics of Discrete Aqueous Redox Reaction Sub-Steps Using Computational Methods: Application to Reactions of Plutonyl (PuO2+/2+) with Fe2+, Fe3+, and (•OH)   

Bender, W.M. and Becker, U. (2018, April) Determining the kinetics of discrete aqueous redox reaction sub-steps using computational methods: Application to reactions of plutonyl (PuO2+/2+) with Fe2+, Fe3+, and hydroxyl radical (•OH). Michigan Geophysical Union Annual Meeting, Ann Arbor, MI. (poster)

Kim Y. and Becker U. Goldschmidt Conference. 2018. Quantum mechanical predictions of thermodynamic mixing properties of alunite supergroup minerals. Boston, MA

Kim Y. and Becker U. Michigan Geophysical Union. 2018. Photocatalytic Reduction of Uranyl: Effects of Organic Ligands and UV wavelengths. Ann Arbor, MI

Kim S. and Becker U. Michigan Geophysical Union. 2018. Computational study of calcite wettability change by hydroxyl functional group. Ann Arbor, MI

Marcano M. C., Kim S., Taylor S. D. and Becker U. (2018) Surface Interaction of Crude Oil, Maltenes, and Asphaltenes with Calcite. An Atomic Force Microscopy Perspective. Presented at AGU Fall Meeting. Washington, D. C. Dec 10-14, 2018.

Gebarski, B.B. and Becker, U. (2018) Surface-mediated reactions of uranyl peroxide materials U60 and studtite at the mineral-electrolyte interface, Michigan Geophysical Union, University of Michigan, Ann Arbor.

Kim Y. and Becker U. American Geophysical Union. 2017. An ab-initio study of the energetics and geometry of sulfide, sulfite and sulfate incorporation into apatite. New Orleans, LA

Kim Y. and Becker U. Michigan Geophysical Union. 2017. Redox reactions of selenium as catalyzed by magnetite. Ann Arbor, MI

Kim S. and Becker U. Michigan Geophysical Union. 2017. Wettability alteration on calcite surface by hexamethyldisilazane. Ann Arbor, MI

Gebarski, B.B. and Becker, U. (2017) Surface-mediated reactions of uranyl peroxide materials U60 and studtite at the mineral-electrolyte interface, Michigan Geophysical Union, University of Michigan, Ann Arbor.

Bender, W.M. and Becker, U. (2017, October) Computational investigation of the kinetics of aqueous plutonium (PuO22+) redox reactions with hydroxyl radical. Geological Society of America Annual Meeting, Seattle, WA. (poster)

Bender, W.M., Killeen, E., and Becker, U. (2016, April) Computational evaluation of selective chelating agents for radium removal from shale gas wastewater. Michigan Geophysical Union Annual Meeting, Ann Arbor, MI. (poster)

Marcano M. C., Walker S. and Becker U. (2016) Understanding molecular-level mechanisms for wettability alteration on mineral surfaces. Presented at 252nd American Chemical Society National Meeting & Exposition. Philadelphia, PA. Aug 21-25, 2016.

Gebarski, B.B. and Becker, U. (2016) Probing uranyl peroxide materials U60 and studtite using in situ electrochemical XAS methods, Michigan Geophysical Union, University of Michigan, Ann Arbor.

Gebarski, B.B. and Becker, U. (2016) Probing uranyl peroxide materials U60 and studtite using in situ electrochemical XAS methods, Goldschmidt Geochemical Conference, Yokohama, Japan.

Gebarski, B.B. and Becker, U. (2015) Probing Uranyl Peroxide Materials Using in situ Electrochemical XAS Methods, Advanced Photon Source Users Meeting, Argonne National Laboratory, IL.

Gebarski, B.B. and Becker, U. (2015) Probing Uranyl Peroxide Materials Using in situ Electrochemical XAS Methods, Goldschmidt Geochemical Conference, Prague, Czech Republic.

Gebarski, B. B. and Becker, U. (2015) Probing Uranyl Peroxide Materials Using in situ Electrochemical XAS Methods. DOE-SCGSR (accepted fellowship proposal).

Gebarski, B. B. and Becker, U. (2015) Probing Uranyl Peroxide Materials Using in situ Electrochemical XAS Methods. ANL-APS Users Meeting 2015 (invited talk).

Gebarski, B. B. and Becker, U. (2015) Probing Uranyl Peroxide Materials Using in situ Electrochemical XAS Methods. Goldschmidt 2015 (poster).

Walker, S.M., Marcano, M.C., Bender, W.M. and Becker, U. (2015) Imaging the in situ reduction of chromium (VI) on magnetite surfaces using electrochemical AFM, GSA Annual Meeting, Baltimore, Maryland, USA.

Arumugam, K., Becker, U., 2014. Electron transfer from Iron-sulfide redox-active mineral surfaces to actinyls: The role of interfacial water wires. Abstracts of Papers of the American Chemical Society 248.

Bender, W.M., and Becker, U. (2014, August 11th) Computational study of U incorporation into magnetite (Fe3O4) via solid-solid and solid-aqueous reactions. 248th American Chemical Society National Meeting, San Francisco, CA. (presentation).

Bender, W.M., Killeen, E., and Becker, U. (2014, May 20th) Surface-mediated reduction of plutonyl by water radiolysis products. Transformational Technologies in Molecular Simulation summer school, Madison, WI. (poster).

Bender, W.M., Killeen, E., and Becker, U. (2014, April 7th) Surface-mediated reduction of plutonyl by water radiolysis products. Michigan Geophysical Union Meeting, Ann Arbor, MI. (poster).

Gebarski, B. B. and Becker, U. (2014) An ab initio investigation into the incorporation of [PuO2]+ into carbonate and sulfate minerals. TTMS 2014, University of Wisconsin (poster).

Gebarski, B. B. and Becker, U. (2014) A computational study on the incorporation of [PuO2]+ into carbonate and sulfate minerals. CRLT-PFF 2014, University of Michigan (poster).

Saha, S., Becker, U., 2014. Ab initio modeling of Np incorporation in uranium-based metal organic frameworks. Abstracts of Papers of the American Chemical Society 248.

Walker, S.M., Becker, U., 2014. First-principles insight into uranyl (VI) and neptunyl (V) incorporation in carbonate and sulfate minerals. Abstracts of Papers of the American Chemical Society 248.

Yuan, K., Ewing, R.C., Becker, U. Uranium reduction on magnetite: An electrochemistry approach. Goldschmidt 2014, Florence, Italy, Talk).

Yuan, K., Becker, U., 2014. Uranium precipitation/dissolution reactions on magnetite investigated by electrochemical AFM, XPS, and AES. Abstracts of Papers of the American Chemical Society 248.

Gebarski, B. B. and Becker, U. (2013) A theoretical study on the incorporation of pentavalent plutonium on carbonate and sulfate surfaces. GAC-MAC 2012, Winnipeg (poster).

Gebarski, B. B. and Becker, U. (2013) A computational study on the incorporation of [PuO2]+ into carbonate and sulfate minerals. MGU 2013, University of Michigan (poster).

Becker U, Yuan K & Renock D (2013, invited talk) Actinide Redox Processes on Iron Sulfides: An Electrochemical, Microscopic, and Computational ApproachGoldschmidt 2014, Florence, Italy

Becker U. and Renock D. (2013) Quantifying kinetic bottlenecks in mineral-catalyzed redox reactions (ACS 246th National Meeting)

Becker U. and Renock D. (2013) Quantifying kinetic rates and activation energies in mineral-catalyzed redox reactions (ACS 245th National Meeting, New Orleans, invited)

Sandy Fernando and Udo Becker, "Mechanisms for (co)adsorption and reduction of uranium on iron and aluminum oxyhydroxides,"  245th ACS Conference, New Orleans, LA (talk)

Sandy Fernando, Maria Marcano, Udo Becker and Kevin Rosso, "Experimental and quantum-mechanical insight into uranium coadsorption and reduction on iron and aluminum oxides,"  (poster)

Walker S.M., Becker U. (2013) A first-principles study of uranyl and neptunyl incorporation into sulfate and carbonate minerals.  Goldschmidt 2014, Florence, Italy (poster)

Walker S.M., Becker U. (2013) A first-principles study of uranyl and neptunyl incorporation into sulfate minerals. Meeting of the Canadian Mineralogical Society, Winnipeg.

Athanasiadou D., Godelitsas A., Dimosthenis Sokaras, Andreas-Germanos Karydas, Elisavet Dotsika, Constantinos Potamitis, Maria Zervou, Stelios Xanthos, Elias Chatzitheodoridis, Hock Chye Gooi, Udo BeckerNew insights into the chemical and isotopic composition of human-body biominerals. I: Cholesterol gallstones from England and Greece 8th C1 Inhibitor Deficiency Workshop (23-26 May 2013) in Budapest

K. Yuan, RC. Ewing, U Becker. Uranium reduction on magnetite: An electrochemistry approach. Goldschmidt 2014, Florence, Italy, Talk).

Jianwei Wang, Rodney C. Ewing, and Udo Becker (2013) Average Structure and Local Configuration of the Excess Oxygen Atoms in UO2+x. 246th ACS National Meeting, September 8-12, 2013,  Indianapolis, Indiana.

Jianwei Wang, Rodney C. Ewing, and Udo Becker (2013) Multi-scale simulation of structural heterogeneity of swift-heavy ion tracks in complex oxides. Goldschmidt2013. August 25-30, Florence, Italy.

Zs. Rak, R.C. Ewing, U. Becker, “Hydroxylation induced surface stability in AnO2 (An=U, Np, Pu), from first-principles”, 2012 GSA Annual Meeting (Charlotte, NC, Nov. 4-7, 2012).

Zs. Rak, R.C. Ewing, U. Becker, Jiaming Zhang, Qiaona Hu, Tatiana S. Livshits, and Andrey A. Lizin, “Actinide Incorporation in the Garnet Structure”, EFRC Science Review (Denver, CO, Feb. 9, 2012).

Bengtson, A., Ewing, R.C., Becker, U., 2012. He diffusion and closure temperatures in apatite and zircon: A density functional theory investigation (vol 86, pg 228, 2012). Geochimica et Cosmochimica Acta 98, 202-202.

Wang J.W., Jie Lian, and Fei Gao (2012) Radionuclide Incorporation and Long Term Performance of Apatite Waste Forms. Fundamental WF Science Web Conference. Organized by John D. Vienna. Pacific Northwest National Laboratory. July 16, 2012.

Wang J.W., Ewing R.C., and Becker U. (2012) Electronic Structure and Stability of Hyperstoichiometric UO2+x under Pressure. Symposium Y: Actinides–Basic Science, Applications, and Technology. 2012 MRS Spring Meeting and Exhibit. April 9-13, 2012. San Francisco, California.

Wang J.W., Ewing R.C., and Becker U. (2012) Activation Energetics of Actinide Diffusion in UO2 from First-principles Calculations. Symposium Y: Actinides–Basic Science, Applications, andTechnology. 2012 MRS Spring Meeting and Exhibit. April 9-13, 2012. San Francisco, California.

Powell B.A., Arai Y., Emerson H., Estes S., Herr S., Hixon A., Miller T., Xie X., Becker U., Ewing R.C., Fernando S., Zhang J., Kaplan D.I. (2012) Development of a Self-Consistent Model of Plutonium Sorption: Quantification of Sorption Enthalpy and Ligand-Promoted Dissolution, SBR PI Meeting, Washington D.C. (abstr.)

Fernando S. & Becker U. (2012) Actinide sorption and reduction upon goethite, ACS 244th Conference Fall 2012, Philadelphia (abstr.)

Fernando S. & Becker U. (2013). Thermodynamics for (co)adsorption and redox reactions onto iron and aluminum clusters, ACS 245th Conference Spring 2013, New Orleans (abstr.)

Yuan, K., Becker, Udo, Renock, Devon, Ewing, Rodney C (2012) Electrochemical redox reactions of uranyl(VI) complexes on magnetite, 2012 GSA Annual Meeting in Charlotte

Becker U., Renock D. (2012) Ewing R.C. Redox mechanisms on semi-conducting mineral surfaces, ACS, San Diego (invited).

Becker U., Renock D., Ewing R.C. Atomistic Approaches to Determine Redox Reaction Mechanisms of U, Np, and Pu on Mineral Surfaces, ACS, San Diego (invited).

Becker U., Renock D., Zsolt Rak, Fernando S. (2012) Quantum-mechanical calculations on actinide sorption and reduction on sulfides and oxides. Goldschmidt Conference, 2012.

Powell B.A., Arai Y., Emerson H., Estes S., Herr S., Hixon A., Miller T., Xie X., Becker U., Ewing R.C., Fernando S., Zhang J., Kaplan D.I. (2012) Development of a Self-Consistent Model of Plutonium Sorption: Quantification of Sorption Enthalpy and Ligand-Promoted Dissolution, SBR PI Meeting, Washington D.C. (abstr.)

Fernando S. and Becker U. (2012) Actinide sorption and reduction upon goethite, ACS 244th Conference Fall 2012, Philadelphia (abstr.)

Fernando S. and Becker U. (2012). Thermodynamics for (co)adsorption and redox reactions onto iron and aluminum clusters, ACS 245th Conference Spring 2013, New Orleans (abstr.)

Zs. Rak, R.C. Ewing, and U. Becker, “Role of Fe in the incorporation of actinides in ferric garnet matrices”, EFRC Science Advisory Board Meeting, University of Notre Dame (Notre Dame, IN, Sept. 24, 2011).

Zs. Rak, R.C. Ewing, and U. Becker, “Ab initio investigation of actinide incorporation in Ti, Zr, Hf, and Sn-containing garnet structure”, American Chemical Society Meeting (Aneheim, CA, March 27-31, 2011).Becker, U., and Renock, D. (2011) First principles study of the oxidation energetics and kinetics of sulfides. Abstracts of Papers of the American Chemical Society, 241.

Alexandrov, V., Skomurski, F., Becker, U., Shvareva, T., Navrotsky, A., and Asta, M. (2011) First-principles study of surface stability and water adsorption on ThO(2) surfaces. Abstracts of Papers of the American Chemical Society, 241.

Rak, Z., Ewing, R.C., and Becker, U. (2011) Ab initio investigation of actinide incorporation in Ti, Zr, Hf, and Sn-containing garnet structure. Abstracts of Papers of the American Chemical Society, 241.

Renock, D., Ewing, R.C., and Becker, U. (2011) Pyrite surface catalysis of uranyl reduction. Abstracts of Papers of the American Chemical Society, 241.

Shuller L., Renock D., Rak Z., Fernando S., Dzulkifli I., Ewing R.C., Becker U. (2011) Actinide adsorption onto mineral surfaces: A quantum-mechanical investigation. 242nd American Chemical Society National Meeting, Denver, Colorado.

Wang J., Ewing R. C., and Becker U. (2011b) Amorphization and Disordering of Materials by Swift Heavy Ion: Atomic-Scale Heterogeneity Revealed by Combining the Thermal Spike Model and Molecular Dynamics Simulations. 2011 MRS Spring Meeting and Exhibit. April 25 - 29, 2011. San Francisco, California.

Wang J., Ewing R. C., and Becker U. (2011c) Effect of pressure on electronic structure and phase stability of hyperstoichiometric uranium dioxide. Materials Modeling and Simulation for Nuclear Fuels (MMSNF-2011), Aix en Provence, France September 26 to 28, 2011.

Wang, J.W., Ewing, R.C., and Becker, U. (2011a) Effect of pressure on electronic structure and phase stability of hyperstoichiometric uranium dioxide. Abstracts of Papers of the American Chemical Society, 241.

Rak, Zs., Ewing, R.C., and  Becker, U. (2010) Electronic structure of Ti, Zr, Hf and Sn containing garnets - Materials for immobilization of actinides. Geochimica et Cosmochimica Acta, 74(12), A845-A845.

Rak, Zs., Ewing, R.C., and  Becker, U. (2010) Ab initio investigation of actinide incorporation in Ti, Zr, Hf, and Sn-containing garnet crystals. Acta Mineralogica-Petrographica, 6, 358-359.

Wang JW, Lu HL, and  Becker U (2010) Structure and vibrational spectroscopy of hydrogen clusters in hydrogen clathrate hydrate by molecular dynamics and first-principles calculation. Geochimica Et Cosmochimica Acta 74(12) A634-A634

Wang JW, Becker U (2010) Structure and energetics of the orientational ordering of carbonate in vaterite calcium carbonate by molecular modeling. Geochimica Et Cosmochimica Acta 74(12) A1103-A1103

J.W. Wang, R.C. Ewing, and U. Becker. (2010) Electronic Structure and the Energetics of Actinide Diffusion in UO2. Plutonium Futures?Science-2010. Keystone, CO Keystone Resort & Conference Center, September 19-23, 2010

J. Wang and U Becker. (2010) First Principles Calculations of Diffusion Properties of Actinide Oxide Fuel Materials. The 2010 Materials Research Society Spring. San Francisco, California, April 5-9, 2010.

Lui, S., Renock, D., Lang, M., Johari, M., Becker, U., Ewing R.C. (2010) Artificially-produced heavy ion tracks in mica studied by atomic force microscopy. Geological Society of America Annual Meeting, Denver, Colorado.

Renock, D. and Becker, U. (2010) A First principles study of the oxidation eneregetics and kinetics of realgar (2010).  Geological Society of America Annual Meeting, Denver, Colorado.

Renock, D., and Becker, U. (2010) First principles investigation of coupled substitution in galena.  Geochimica et Cosmochimica Acta, 74(12), A862-A862

Hu, Q., Zhang, J., and Becker, U. (2010) Growth process and crystallographic properties of ammonia-induced vaterite. Proceeding for Material Research Society spring meeting, San Francisco, CA

Hu, Q., Zhang, J., Ewing, R., Teng, H., and Becker, U (2010)The influence of muscovite and orthoclase on the precipitation of CaCO3 polymorphs. Goldschmidt Conference, Knoxville, TN

Shuller, L.C., Ewing, R.C., and Becker, U. (2010) Quantum-mechanical evaluation of Np-incorporation into studtite. American Nuclear Society (November) Las Vegas, NV.

Bengtson, A. K., Ewing, R. C., and Becker, U., 2010. Ab initio calculations of he diffusion in apatite. Geochimica Et Cosmochimica Acta 74, A77-A77.

Lu, H. L., Wang, J. W., and Becker, U., 2010. Structure and vibrational spectroscopy of hydrogen clusters in hydrogen clathrate hydrate by molecular dynamics and first-principles calculation. Geochimica Et Cosmochimica Acta 74, A634-A634.

Becker, U., and Hu, Q. (2009) Controlled Growth of Different Calcium Carbonate Polymorphs as Induced by the Presence of Dissolved Molecules and Mineral Surfaces. Goldschmidt Conference, Davos, Switzerland

Shuller, L.C., Ewing, R.C., and Becker, U. (2009) Actinide incorporation and sorption in layered structures. Integrated Radioactive Waste Management for Future Fuel Cycles (October) Charleston, SC.

Becker, U., and Hu, Q.N. (2009) Controlled growth of different calcium carbonate polymorphs as induced by the presence of dissolved molecules and mineral surfaces. Geochimica et Cosmochimica Acta, 73(13), A101-A101.

Renock, D., Deditius, A., Reich, A., Kesler, S. E., Ewing, R. C., and Becker, U., 2008. Gold deposition onto arsenian pyrite8th Annual V M Goldschmidt Conference, Vancouver, CANADA.

Shuller, L.C., Ewing, R.C., and Becker, U. (2008) Thermodynamic properties of actinide oxide solid solutions. Materials Research Society (December) Boston, MA.

Shuller, L.C., Poling, J., Ewing, R.C., and Becker, U. (2008) Actinide adsorption onto hematite (001) surface. Geochimica et Cosmochimica Acta, 72(12): A864-A864.

J. Wang, F. Zhang, J. Lian, R.C. Ewing, and U. Becker. Energetics of defect formation in pyrochlore, Gd(Ti/Zr)2O7, at high pressure. The 2008 Materials Research Society Fall Meeting, Boston, MA, December 15, 2008.

U. Becker, S. Biswas, and J. Wang. Dynamic simulations of polypeptide templates to promote Ca-carbonate nuclei. 2008 AGU Fall Meeting, San Francisco, California. December 15-19, 2008

Hu, Q., Wang, J., Zhang, J., Becker, U., 2008. Analysis of the structure of vaterite and factors that will induce vaterite formation Abstract of the 2008 American Geophysical Union (AGU) Fall Meeting, San Francisco, CA (poster)

Becker, U, Reich, M, Utsunomiya, S, Wang, J, Kesler, S, Wang, L, Ewing, R C: Nanoparticle-host interactions in natural systems Abstract of 2007 AGU fall meeting, San Francisco, CA, Dec, 2007. (talk)

Becker, U, Reich, M, Utsunomiya, S, Wang, J, Kesler, S, Wang, L, Ewing, R C: The fate of “invisible” gold at high temperatures and the role of nanoscale phenomena in geologic systems

Shuller, L.C., Pavenayotin, N., Skomurski, F.N., Ewing, R.C., Becker, U. Thermodynamic properties of actinide-zirconium dioxide solid-solutions relevant for advanced nuclear fuels. Waste Management Symposia, Phoenix, AZ, February, 2008 (POSTER).

Q. Hu, H. Teng, S. Biswas, U. Becker. Surface Energetics of Calcite {10-14} Faces upon the Adsorption of Succinic Acid. Abstract of 2007 AGU fall meeting, San Francisco, CA, Dec, 2007. (POSTER)

Anderson, B.E., Helean, K.B., Bryan, C.R., Brady, P.V., and Ewing, R.C. Waste package corrosion studies using small mockup experiments. Materials Research Society Meeting, Sheffield, England, Spetember 2007 (ORAL).

Shuller, L.C., Ewing, R.C., and Becker, U. Np-incorporation into K-boltwoodite. Materials Research Society Meeting, Sheffield, England, September 2007 (ORAL).

Anderson, B.E., Essene, E.J., and Becker, U. Ti substitution in zircon. Abstracts of the 17th Annual Goldschmidt Conference, Cologne, Germany, September 2007 (ORAL).

Renock D., Utsunomiya S., Gallegos T.J., Hayes K.F., Ewing R.C., and Becker U. Arsenic uptake and release on sulfide nanoparticles. Abstracts of the 17th Annual Goldschmidt Conference, Cologne, Germany, A834, September 2007 (ORAL).

Shuller L.C., Ewing R.C., and Becker U. Computational investigation of Np-incorporation into K-boltwoodite. American Chemical Society Spring Meeting, Chicago, IL, March 2007 (ORAL).

Biswas, S., Segvich, S., Becker, U., and Kohn, D.H. Molecular modeling of cell adhesion peptide adsorption on hydroxyapatite: A comparative study of different mineral surfaces. Medical Mineralogy and Geochemistry Short Course, USGS campus, Menlo Park, CA, Dec. 9-10, 2006 (POSTER).

Anderson B.E., Becker U., Helean K.B., and Ewing R.C. Perrhenate and Pertechnetate Behavior on Iron and Sulfur-Bearing Compounds, Material Research Society Fall Meeting, Boston, MA, Nov 2006 (ORAL).

Ramana, C.V., Utsunomiya, S., Becker, U., Ewing, R.C., Mauger, A., Gendron, F., Zaghib, K., and Julien, C.M. Synthesis, structure and electrochemical properties of Li4Ti5O12. Materials Research Society Fall Meeting. Boston, MA, Nov. 2006 (ORAL).

Skomurski F.N., Kerisit S., Ilton E.S., Engelhard M.H., Ewing R.C., Becker U., and Rosso K.M. (2006) Reduction of U6+ by magnetite and the role of electron transfer. ACS Fall meeting, 232nd National Meeting & Exposition, September 10 - 14, 2006, San Francisco, CA.

Shuller L.C., R.C. Ewing, U. Becker (2006) Np5+ incorporation into uranyl alteration phases: a quantum mechanical approach, MRS Fall Meeting, November 27 - December 1, Boston.

Anderson B.E. , Becker U., Helean K.B., and Ewing R.C. (2006) Perrhenate and Pertechnetate Behavior on Iron and Sulfur-Bearing Compounds, MRS Fall Meeting, November 27 - December 1, Boston.

Dixon D. Ewing R.C., and Becker U. (2006) Computational investigation of the thermodynamics of mixing in rare-earth pyrochlore minerals using first-principles and Monte-Carlo methods. MRS Fall Meeting, November 27 - December 1, Boston.

Skomurski F.N., Ewing R.C., and Becker U. (2006) Computational investigation of the formation of hyperstoichiometric uranium dioxide (UO2+x), MRS Fall Meeting, November 27 - December 1, Boston.

Ramana C.V., Ait-Salah, A., Utsunomiya, S., Becker U., Mauger A., Gendron F., and Julien C.M. (2006) Spectroscopic characterization of lithium nickel phosphates for electrochemical applications. October 28 - November 3, The Electrochemical Society International Meeting, Cancun, Mexico.

Ramana C.V., Atuchin V.V., Kesler V.G., Kochubey V.A., Pokrovsky L.D., Shutthanandan V., and Becker, U. (2006) Structure and electronic properties of molybdenum oxide films fabricated by DC magnetron sputtering, AVS International Symposium, November 12-19,  San Francisco, CA.

Ramana C.V., Shutthanandan V., Atuchin V., and U. Becker, Growth and microstructure of oxide scale formed on the molybdenum disulfide (MoS2) surfaces, Ion Beam Modification and Synthesis in Solids, Materials Science & Technology 2006, Cincinnati, OH during October 15-19, 2006. (Accepted for ORAL presentation)

Atuchin V., C.V. Ramana, Udo Becker, L Isaenko, O. Khyzhun, A Sinelnichenko, Surface modification of KTiOAsO4 optical crystals by Ar+ ion bombardment, Ion Beam Modification and Synthesis in Solids, Materials Science & Technology, Cincinnati, OH during October 15-19, 2006. (ORAL)

Skomurski, F.N., Kerisit, S., Ilton, E.S., Engelhard, M.H., Ewing, R.C., Becker, U., and Rosso, K.M. (2006) Reduction of U6+ by magnetite and the rate of electron transfer. American Chemical Society Fall Mtg., Sept. 10-14, 2006.

Shuller, L.C., Ewing, R.C., Becker, U. (2006) Np5+ incorporation into uranyl alteration phases: a quantum mechanical approach, AGU, 87(36), Jt. Assem. Suppl., Abstract M21A-05. (Poster)

Skomurski, F.N., Shuller, L.C., Ewing, R.C., and Becker U. (2006) Adsorption energy trends on UO2 and ThO2 surfaces, Eos Trans., AGU, 87(36), Jt. Assem. Suppl., Abstract M33A-04.

Segvich, S., Biswas, S., Becker, U., Kohn, D.H. (2006) Molecular modeling of cell adhesion peptide adsorption on hydroxyapatite, Society for Biomaterial Annual Meeting, April 26-29, 2006, Pittsburgh, PA.

Renock, D., Becker, U., Utsunomiya, S., Ewing, R.C., Hayes, K., Gallegos, T., STEM and electrochemical SFM characterization of As-containing nanoscale phases on iron sulfides, American Chemical Society (ACS) Meeting, (March), 2006, Atlanta, GA (POSTER)

Ramana C.V., V. Shutthanandan and U. Becker: Thermal oxidation of molybdenite surfaces, Adsorption of Metals to Geomedia, Division of Geochemistry, American Chemical Society (ACS) Meeting (March), 2006, Atlanta, GA (POSTER)

Ramesh Alleti, Woon Su Oh, Meher Perambuduru, C.V. Ramana, U. Becker , and V. Prakash: ReddyImidazolium-based polymer supported gadolinium triflate as a novel Lewis acid catalyst for Michael additions, American Chemical Society (ACS) Meeting, (March), 2006, Atlanta, GA (POSTER)

Reich, M., Utsunomiya, S., Ewing, R.C., and Becker, U. (2006) Nanoparticle-host interaction in the solid state: temperature-induced dissolution and growth of natural gold nanoparticles in arsenian pyrite.  In Proceedings NANOPEPS (Nanoscale Processes in Earth and Planetary Sciences) Workshop, January 11-13, Albuquerque, New Mexico.

Ramana, C.V., and Becker, U.: Growth and characterization of thin oxide films , presented at the “Workshop on In-situ characterization of surface and interface structures and processes,” at the Argonne National Laboratory, Argonne, IL during September 8-9, 2005 (POSTER).

Ramana, C.V., Utsunomiya, S., Julien, C.M., and Becker, U.: Investigation of temperature-induced structural transformations in tungsten oxide (WO3) thin films (ORAL) ECS Meeting, Los Angeles, CA, USA during October 16-21, 2005.

Becker U., Ewing R.C., Wang L.M., Reich M. and Utsunomiya S. Temperature-induced nanoparticle-host interactions in natural samples. Nanoscience and Engineering Grantee Conference, 2005.

Becker U. & Shuller L.C. Np-Incorporation into the U6+-alteration phases of spent nuclear fuel and Np-sorption onto oxide phases. OST&I Source Term Meeting. Argonne National Lab, 2005.

Ramana C.V., Utsunomiya S., Julien C.M., and Becker U.. Investigation of Temperature Induced Structural Transformations in Tungsten Oxide (WO3) Thin Films, Meeting of the Electrochemical Society, 2006.

Becker U., Biswas S. (2005) Dynamic simulations of polypeptide networks to form Ca-carbonate seed crystals. Abstract for the Goldschmidt Conference 2005.

Biswas S. & Becker U. (2005) Interaction of mineral surfaces with oligopeptides as organic templates: an insight into biomineralization. Abstract for the Goldschmidt Conference 2005.

Biswas S. & Becker U. Interaction of Mineral surfaces with polypeptide networks: Dynamic simulations for Calcium Carbonate crystal seed formation.  GSA conference, Salt Lake City, 2005.

Reich M., Utsunomiya S., Becker U., Wang L.M. & Ewing R.C.(2005) In-situ observation of quantum-size effect on melting of natural gold nanoparticles. Abstract for the Goldschmidt Conference 2005.

Becker U., Ewing R.C., Wang L.M., Reich M., Utsunumiya S. (2004) Nano Highlight: Gold nanoparticles in arsenic-rich sulfides as an example of nanoscience and technology impact in geological sciences. NIRT workshop at NSF, Dec. 2004.

Skomurski, F.N., Ewing, R.C., and Becker, U.: Quantum mechanical vs. empirical potential modeling of uranium dioxide (UO2) surface and adsorption energies. OST&I Source Term Targeted Thrust Annual Review, (Feb.) 2005, Las Vegas, NV.

Skomurski, F.N., Shuller, L., Ewing, R.C., and Becker, U.:The corrosion of UO2 versus ThO2: a quantum mechanical investigation, Goldschmidt, 2005 (May), Moscow, ID (ORAL)

Skomurski, F.N., Kerisit, S., Becker, U., Ewing, R.C., and Rosso, K.: The interaction between uranium(VI) and magnetite surfaces: exploring the role of electron transfer. OST&I Source Term Science Thrust Program Review and Integration Meeting, (Aug.) 2005, Argonne, IL.

Reich M, Becker U. & Kesler SE (2004) Quantum-mechanical and Monte Carlo simulations of Fe-As-S solid solution properties and the energetics of Au incorporation into arsenian pyrite. Geochimica et Cosmochimica Acta 68 (11): A81-A81 Suppl. S JUN 2004.

Skomurski F.N., Becker U., Ewing R.C. (2004) Quantum mechanical versus empirical potential modeling of UO2 surface-water interactions. Geochimica et Cosmochimica Acta 68, A119, Suppl.

Becker U. (2003) Atomic and electronic processes in environmental mineralogy. 2003 Mesilla Chemistry Workshop, "Environmental Chemistry at Interfaces - Insights from a Molecular Perspective, February 8– 12, 2003, Mesilla, New Mexico.

Becker U. & Rosso, K. (2001) The proximity effect on semiconducting mineral surfaces: A new aspect of mineral surface reactivity and surface complexation theory? Abstract for the Meeting of the German Mineralogical Society (DMG) (9.9.-13.9.2001), Beihefte to European Journal of Mineralogy, Vol. 13.

Harrison R., McEnroe S., Golla U. & Becker U. (2001) The origin of stable remanent magnetization in exsolved titanohematite: Insights through the application of neutron diffraction, transmission electron microscopy, electron energy loss spectroscopy, and Monte Carlo simulations, EUG XI, 8.-12.4.2001 Straßburg.

Becker, U. & Gasharova, B. (2001) Molecular simulations and AFM observations of jarosite growth at the molecular scale. The 11th Annual V.M. Goldschmidt Conference, 20.-24.5.2001, Hot Springs, Virginia, USA.

Becker, U., Rosso, K. & Hochella, M.F. Jr. (2001) The proximity effect on semiconducting mineral surfaces The 11th Annual V.M. Goldschmidt Conference, 20.-24.5.2001, Hot Springs, Virginia, USA.

Becker, U., Risthaus, P., Bosbach, D. & Putnis, A. (2001) Selective attachment of growth inhibitors and monovalent background electrolyte ions to polar step on sulfates as studied by molecular simulations and AFM observations. A workshop sponsored by CCP5, Calcite and Related Materials: Growth and Dissolution. 4th - 5th January 2001, Department of Chemistry, University of Reading.

Pina C.M., Becker U. & Fernández-Díaz L. (2000) Crecimiento epitaxial de yeso sobre anhidrita: estudio in situ mediante microscopía de fuerza atómica. XX Reunión Científica de la Sociedad Española de Mineralogía. 25-27 Sept. 2000, La Coruña, Spain.

Gasharova B., Göttlicher J. & Becker U. (2000) Molecular scale AFM investigation of dissolution reactions and simulation of jarosite growth surfaces. Annual Meeting of the Geological Society of America, November 12-15, 2000, Reno, Nevada; GSA Abstracts with Programs, Vol. 32, No. 7, November 2000.

Rosso K.M., Lower S., Becker U., & Hochella M.F., Jr. (1999) The development, current state, and future of using scanning probe microscopes to drive nano-geoscience and technology. Abstract for the AGU fall meeting, 2000.

Becker U., Risthaus P. & Bosbach D. (2000), Computer simulations and AFM observations on the interaction of organic growth inhibitors and background electrolyte ions on the crystal growth of mineral surfaces. Abstract für die DMG Jahrestagung in Heidelberg (25.9.-29.9.2000).

Pina C.M., Becker U. & Fernández-Díaz L. (2000) Epitaxial growth of gypsum on anhydrite: In situ AFM observations and computer calculations. Goldschmidt 2000, September 3-8, Oxford, UK, Abstract Volume p. 801.

Becker U., Risthaus P., and Bosbach D. (2000), Molecular simulations and AFM observations on the interaction of organic growth inhibitors and ionic strength on the crystal growth of barite and celestite. Goldschmidt 2000, September 3-8, Oxford, UK, Abstract Volume p. 205.

Gasharova B., Göttlicher J. & Becker U. (2000) AFM investigation of reactions on jarosite growth surfaces at aerobic conditions. EURESCO conference on Mineral Surface Science Reactivity, San Feliu de Guixols, Spain, May 27 - June 1, 2000.

Becker U. & Rosso K.M. (2000) The nature of the bond between a metal (Ag, Cu) atom and a semiconducting mineral surface. 31st International Geological Conference, 6.-17.8.2000, Rio de Janeiro, Brazil.

Prieto M., Becker U., Fernández-Gonzáles A. & Putnis A. (1999) Computing phase diagrams for aqueous systems involving non-ideal solid solutions from first principles calculations, Boletin de la Sociedad Espanola de Mineralogia, 22-A.

Becker U. & Rosso K.M. (1999), Surface diffusion and oxidation of pyrite (001) surfaces at the molecular scale as investigated using STM, STS, and molecular simulation techniques, Abstract for MinWien 1999 (28.8.-1.9.-1999), Beih. to European Journal of Mineralogy, Vol. 11, 29.

Becker U., Rosso K.M., Weaver R. & Hochella M.F., Jr. (1999) The nature of the bond between a metal (Ag, Cu) atom and a semiconducting mineral surface. Abstract for the AGU fall meeting, Suppl. to EOS Transactions, AGU Vol. 80/46, F1156.

Becker U., Harrison R., Fernández-Gonzáles A., Prieto M. & Putnis A. (1999). Direct calculation of thermodynamic properties of the barite/celestite and hematite-ilmenite solid solution from molecular principles. Abstract for MinWien 1999 (28.8.-1.9.-1999), Beih. to European Journal of Mineralogy, Vol. 11, 29.

Becker U., Rosso K.M., Weaver R., & Hochella M.F., Jr. (1999) The nature of the bond between a metal (Ag, Cu) atom and a semiconducting mineral surface. 1999 Fall Meeting, American Geophysical Union, December 13-17, 1999 San Francisco, California.