Publications

Peer-reviewed publications of research supported in part or in whole under an EFRC are listed below. Publications are ordered first by year, then alphabetically by EFRC acronym, and finally alphabetically by first author. Links to the DOI and associated EFRC appear at the end of each citation. The publication list is updated periodically; the last such update was August 19, 2013.

1701.Chuang, Feng-Chuan; Lin, Wen-Huan; Huang, Z. Q.; Hsu, Chia-Hsiu; Kuo, C. C.; Ozolins, Vidvuds; and Yeh, V.  Electronic structures of an epitaxial graphene monolayer on SiC(0001) after gold intercalation: A first-principles study  Nanotechnology, 22, 275704 (2012).  [DOI: 10.1088/0957-4484/22/27/275704External link] [MEEM]
1702.Dunn, Bruce; Kamath, Haresh; and Tarascon, Jean-Marie  Electrical Energy Storage for the Grid: A Battery of Choices  Science, 334, 928-935 (2012).  [DOI: 10.1126/science.1212741External link] [MEEM]
1703.fang, yuan; Pandey, Ajay K.; Nardes, Alexandre M.; Kopidakis, Nikos; Burn, Paul L.; and Meredith, Paul  A Narrow Optical Gap Small Molecule Acceptor for Organic Solar Cells  adv. en. mater., 3, 4155 (2012).  [DOI: 10.1002/aenm.201200372External link] [MEEM]
1704.Fang, Jin; Kang, Chris B.; Huang, Yi; Tolbert, Sarah H.; and Pilon, Laurent  Thermal Conductivity of Ordered Mesoporous Nanocrystalline Silicon Thin Films Made from Magnesium Reduction of Polymer-Templated Silica  J. Phys. Chem. C, 116, 12926-12933 (2012).  [DOI: 10.1021/jp302531dExternal link] [MEEM]
1705.Halim, Merissa; Kennedy, Robert D.; Suzuki, Mitsuharu; Khan, Saeed I.; Diaconescu, Paula L.; and Rubin, Yves  Complexes of Gold(I), Silver(I), and Copper(I) with Pentaaryl[60]fullerides  J. Am. Chem. Soc., 133, 6841-6851 (2012).  [DOI: 10.1021/ja201297rExternal link] [MEEM]
1706.Hmadeh, Mohamad; Lu, Zheng; Liu, Zheng; Gándara, Felipe; Furukawa, Hiroyasu; Wan, Shun; Augustyn, Veronica; Cheng, Rui; Liao, Lei; Zhou, Fei; Perre, Emilie; Ozolins, Vidvuds; Duan, Xiangfeng; Dunn, Bruce; Yamamoto, Yasuaki; Terasaki, Osamu; and Yaghi, Omar M.  New porous crystals of extended metal-catecholates  Chemistry of Materials, 24, 3511-3513 (2012).  [DOI:External link] [MEEM]
1707.Hsu, Chia-Hsiu; Lin, Wen-Huan; Ozolins, Vidvuds; and Chuang, Feng-Chuan  Electronic structures of an epitaxial graphene monolayer on SiC(0001) after metal intercalation (metal = Al, Ag, Au, Pt, and Pd): A first-principles study  Applied Physics Letters, 100, 063115-4 (2012).  [DOI: 10.1063/1.3682303External link] [MEEM]
1708.Jia, Xilai; Chen, Zheng; Peng, Yiting; Wang, Xiaolei; Wei, Fei; and Lu, Yunfeng  Building Robust Architectures of Carbon and Metal Oxide Nanocrystals towards High-Performance Anodes for Lithium Ion Batteries  ACS Nano, 6, 9911-9919 (2012).  [DOI: 10.1021/nn303478eExternal link] [MEEM]
1709.Jia, Xilai; Chen, Zheng; Suwarnasarn, Arnold; Rice, Lynn; Wang, Xiaolei; Sohn, Hiesang; Zhang, Qiang; Wu, Benjamin M.; Wei, Fei; and Lu, Yunfeng  High-performance flexible lithium-ion electrodes based on robust network architecture  Energy Environ. Sci., 5, 6845-6849 (2012).  [DOI: 10.1039/C2EE03110HExternal link] [MEEM]
1710.Jia, Xilai; Yan, Chunzhu; Chen, Zheng; Wang, Ranran; Zhang, Qiang; Guo, Lin; Wei, Fei; and Lu, Yunfeng  Direct growth of flexible LiMn2O4/CNT lithium-ion cathodes  Chem. Commun., 47, 9669-9671 (2012).  [DOI: 10.1039/C1CC13536HExternal link] [MEEM]
1711.Kennedy, Robert D.; Halim, Merissa; Khan, Saeed I.; Schwartz, Benjamin J.; Tolbert, Sarah H.; and Rubin, Yves  Crystal-Packing Trends for a Series of 6,9,12,15,18-Pentaaryl-1-hydro[60]fullerenes  Chemistry – A European Journal, 18, 7418-7433 (2012).  [DOI: 10.1002/chem.201103400External link] [MEEM]
1712.Kim, Jong Woung; Augustyn, Veronica; and Dunn, Bruce  The Effect of Crystallinity on the Rapid Pseudocapacitive Response of Nb2O5  Advanced Energy Materials, 2, 141-148 (2012).  [DOI: 10.1002/aenm.201100494External link] [MEEM]
1713.Kurihara, Hiroki; Iiduka, Yuto; Rubin, Yves; Waelchli, Markus; Mizorogi, Naomi; Slanina, Zdenek; Tsuchiya, Takahiro; Nagase, Shigeru; and Akasaka, Takeshi  Unexpected Formation of a Sc3C2@C80 Bisfulleroid Derivative  J. Am. Chem. Soc., 134, 4092-4095 (2012).  [DOI: 10.1021/ja300279xExternal link] [MEEM]
1714.Lin, Wen-Huan; Ozolins, Vidvuds; Chuang, Feng-Chuan; and Hsu, Chia-Hsiu  Electronic structure of the indium-adsorbed Au/Si(111)-sqrt[3]×sqrt[3] surface: A first-principles study  Physical Review B, 85, 155401 (2012).  [DOI: 10.1103/PhysRevB.85.155401External link] [MEEM]
1715.Liu, Yongduo; and Ozolins, Vidvuds  Diffusion-Assisted Formation Mechanism of Molecular Break Junctions: A First-Principles Study of Benzenethiolate on Au(111)  J. Phys. Chem. C, 115, 3460-3465 (2012).  [DOI: 10.1021/jp110072wExternal link] [MEEM]
1716.Liu, Yongduo; Zhou, Fei; and Ozolins, Vidvuds  Ab Initio Study of the Charge-Storage Mechanisms in RuO2-Based Electrochemical Ultracapacitors  J. Phys. Chem. C, 116, 1450-1457 (2012).  [DOI: 10.1021/jp207616sExternal link] [MEEM]
1717.Liu, Yongduo; and Ozolins, Vidvuds  Self-Assembled Monolayers on Au(111): Structure, Energetics, and Mechanism of Reconstruction Lifting  J. Phys. Chem. C, 116, 4738-4747 (2012).  [DOI: 10.1021/jp211407pExternal link] [MEEM]
1718.Lopata, K.; Reslan, R.; Kowalska, M.; Neuhauser, D.; Govind, N.; and Kowalski, K.  Excited-State Studies of Polyacenes: A Comparative Picture Using EOMCCSD, CR-EOMCCSD(T), Range-Separated (LR/RT)-TDDFT, TD-PM3, and TD-ZINDO  J. Chem. Theory Comput., 7, 3686-3693 (2012).  [DOI: 10.1021/ct2005165External link] [MEEM]
1719.Morris, William; He, Ning; Ray, Keith G.; Klonowski, Peter; Furukawa, Hiroyasu; Daniels, Isaak N.; Houndonougbo, Yao; Asta, Mark; Laird, Brian B.; and Yaghi, Omar M.  A Combined Experimental-Computational Study of the Effect of Topology on Carbon Dioxide Adsorption in Zeolitic Imidazolate Frameworks  J. Phys. Chem. C, 116, 24084-24090 (2012).  [DOI:External link] [MEEM]
1720.Morris, William; Stevens, Caitlin J.; Taylor, R. E.; Dybowski, C.; Yaghi, Omar M; and Garcia-Garibay, Miguel A.  NMR and X-ray Study Revealing the Rigidity of Zeolitic Imidazolate Frameworks  J. Phys. Chem. C, 116, 13307-13312 (2012).  [DOI: 10.1021/jp303907pExternal link] [MEEM]
1721.Morris, William; Leung, Belinda; Furukawa, Hiroyasu; Yaghi, Omar K.; He, Ning; Hayashi, Hideki; Houndonougbo, Yao; Asta, Mark; Laird, Brian B.; and Yaghi, Omar M.  A Combined Experimental−Computational Investigation of Carbon Dioxide Capture in a Series of Isoreticular Zeolitic Imidazolate Frameworks  J. Am. Chem. Soc., 132, 11006-11008 (2012).  [DOI: 10.1021/ja104035jExternal link] [MEEM]
1722.Nardes, Alexandre M.; Ferguson, Andrew J.; Whitaker, J. B.; Larson, B. W.; Larson, R. E.; Maturova, K.; Graf, P. A.; Boltalina, O. V.; Strauss, S. H.; and Kopidakis, Nikos  Beyond PCBM: Understanding the photovoltaic performance of blends of indene-C60 multiadducts with poly(3-hexylthiophene)  Advanced Functional Materials, , (2012).  [DOI: 10.1002/adfm.201200336External link] [MEEM]
1723.Nardes, Alexandre M.; Ayzner, Alexander L.; Hammond, Scott R.; Ferguson, Andrew J.; Schwartz, Benjamin J.; and Kopidakis, Nikos  Photoinduced Charge Carrier Generation and Decay in Sequentially Deposited Polymer/Fullerene Layers: Bulk Heterojunction vs Planar Interface  J. Phys. Chem. C, 116, 7293-7305 (2012).  [DOI: 10.1021/jp212390pExternal link] [MEEM]
1724.Olmsted, David; He, Ning; Houndonougbo, Yao; Laird, Brian B.; Asta, Mark; and Ray, Keith G.  van der Waals density functional study of CO_{2} binding in zeolitic imidazolate frameworks  Physical Review B, 85, 085410 (2012).  [DOI: 10.1103/PhysRevB.85.085410External link] [MEEM]
1725.Peng, Yiting; Chen, Zheng; Wen, Jing; Xiao, Qiangfeng; Weng, Ding; He, Shiyu; Geng, Hongbin; and Lu, Yunfeng  Hierarchical manganese oxide/carbon nanocomposites for supercapacitor electrodes  Nano Research, 4, 216-225 (2012).  [DOI: 10.1007/s12274-010-0072-yExternal link] [MEEM]
1726.Randa, Reslan; Lopata, Kenneth; Arntsen, Christopher; Govind, Niranjan; and Neuhauser, Daniel  Electron transfer beyond the static picture: A TDDFT/TD-ZINDO study of a pentacene dimer  J. Chem. Phys., 137, 22A502 (2012).  [DOI:External link] [MEEM]
1727.Rauda, Iris E.; Senter, Robert; and Tolbert, Sarah H.  Directing Anisotropic Charge Transport of Layered Organic-Inorganic Hybrid Perovskite Semiconductors in Porous Templates  J. Mater. Chem., 1, 1423-1427 (2012).  [DOI: 10.1039/C2TC00239FExternal link] [MEEM]
1728.Rauda, Iris E.; Buonsanti, Raffaella; Saldarriaga-Lopez, Laura; Benjauthrit, Kanokraj; Schelhas, Laura T.; Stefik, Morgan; Augustyn, Veronica; Ko, Jesse; Dunn, Bruce; Wiesner, Ulrich; Milliron, Delia J.; and Tolbert, Sarah H.  General Method for the Synthesis of Hierarchical Nanocrystal-Based Mesoporous Materials  ACS Nano, 6, 6386-6399 (2012).  [DOI:External link] [MEEM]
1729.Ray, Keith G.; Ozolins, Vidvuds; Asta, Mark; and Ding, Hong  Structural and vibrational properties of α-MoO_{3} from van der Waals corrected density functional theory calculations  Physical Review B, 85, 012104 (2012).  [DOI: 10.1103/PhysRevB.85.012104External link] [MEEM]
1730.Tassone, Christopher J.; Ayzner, Alexander L.; Kennedy, Robert D.; Halim, Merissa; So, Monica; Rubin, Yves; Tolbert, Sarah H.; and Schwartz, Benjamin J.  Using Pentaarylfullerenes to Understand Network Formation in Conjugated Polymer-Based Bulk-Heterojunction Solar Cells  J. Phys. Chem. C, 115, 22563-22571 (2012).  [DOI: 10.1021/jp207382fExternal link] [MEEM]
1731.Wang, Hainan; and Pilon, Laurent  Mesoscale Modeling of Electric Double Layer Capacitors With Three-Dimensional Ordered Structures  Journal of Power Source, 221, 252-260 (2012).  [DOI:External link] [MEEM]
1732.Wang, Hainan; and Pilon, Laurent  Physical interpretation of cyclic voltammetry for measuring electric double layer capacitances  Electrochimica Acta, 64, 130-139 (2012).  [DOI: 10.1016/j.electacta.2011.12.118External link] [MEEM]
1733.Wang, Hainan; and Pilon, Laurent  Intrinsic limitations of impedance measurements in determining electric double layer capacitances  Electrochimica Acta, 63, 55-63 (2012).  [DOI: 10.1016/j.electacta.2011.12.051External link] [MEEM]
1734.Wang, Hainan; and Pilon, Laurent  Accurate Simulations of Electric Double Layer Capacitance of Ultramicroelectrodes  J. Phys. Chem. C, 115, 16711-16719 (2012).  [DOI: 10.1021/jp204498eExternal link] [MEEM]
1735.Wang, Xiaolei; Pan, Daocheng; Weng, Ding; Low, Chen-Yian; Rice, Lynn; Han, Jinyu; and Lu, Yunfeng  A General Synthesis of Cu−In−S Based Multicomponent Solid-Solution Nanocrystals with Tunable Band Gap, Size, and Structure  J. Phys. Chem. C, 114, 17293-17297 (2012).  [DOI: 10.1021/jp103572gExternal link] [MEEM]
1736.Wang, Xiaolei; Li, Ge; Chen, Zheng; Augustyn, Veronica; Ma, Xueming; Wang, Ge; Dunn, Bruce; and Lu, Yunfeng  High-Performance Supercapacitors Based on Nanocomposites of Nb2O5 Nanocrystals and Carbon Nanotubes  Advanced Energy Materials, 1, 1089-1093 (2012).  [DOI: 10.1002/aenm.201100332External link] [MEEM]
1737.Xiao, Qiangfeng; Sohn, Hiesang; Chen, Zheng; Toso, Daniel; Mechlenburg, Matthew; Zhou, Z. Hong; Poirier, Eric; Dailly, Anne; Wang, Haiqiang; Wu, Zhongbiao; Cai, Mei; and Lu, Yunfeng  Mesoporous Metal and Metal Alloy Particles by Aerosol-Assisted Confined Growth of Nanocrystals  Angew. Chem. Int. Ed., 51, 10546-10550 (2012).  [DOI: 10.1002/anie.201204289External link] [MEEM]
1738.Yan, Chunzhu; Chen, Zheng; Peng, Yiting; Guo, Lin; and Lu, Yunfeng  Stable Lithium-ion Cathodes from Nanocomposites of VO2 Nanowire and CNTs  Nanotechnology, 23, 475701-475707 (2012).  [DOI:External link] [MEEM]
1739.Zhang, Dieqing; Wang, Ranran; Wen, Meicheng; Weng, Ding; Cui, Xia; Sun, Jing; Li, Hexing; and Lu, Yunfeng  Synthesis of Ultralong Copper Nanowire for High-Performance Transparent Electrodes  Journal of American Chemical Society, 134, 14283-14286 (2012).  [DOI:External link] [MEEM]
1740.Armstrong, C. R.; Nyman, May; Shvareva, T. Y.; Sigmon, Ginger E.; Burns, Peter C; and Navrotsky, A.  Uranyl peroxide enhanced nuclear fuel corrosion in seawater  Proceedings of the National Academy of Sciences, 109, 1874-1877 (2012).  [DOI:External link] [MSA]
1741.Burns, Peter C; Ewing, Rodney C.; and Navrotsky, A.  Nuclear fuel in a reactor accident  Science, 335, 1184-1188 (2012).  [DOI: 10.1126/science.1211285External link] [MSA]
1742.Cross, Justin N; Villa, Eric M.; Wang, Shuao; Diwu, J.; Polinski, Matt J.; and Albrecht-Schmitt, Thomas E.  Syntheses, structures, and spectroscopic properties of plutonium and americium phosphites and the redetermination of the ionic radii of Pu(III) and Am(III)  Inorganic Chemistry, 51, 8419-8424 (2012).  [DOI:External link] [MSA]
1743.Deditius, A. P.; Pointeau, V.; Zhang, J. M.; and Ewing, Rodney C.  Formation of nanoscale Th-coffinite  American Mineralogist, 97, 681-693 (2012).  [DOI: 10.2138/am.2012.3951External link] [MSA]
1744.Diwu, J.; Grant, Daniel; Wang, Shuao; Gagliardi, Laura; and Albrecht-Schmitt, Thomas E.  Periodic trends in lanthanide and actinide phosphonates: Discontinuity between plutonium and americium  Inorganic Chemistry, 51, 6906-6915 (2012).  [DOI:External link] [MSA]
1745.Edmondson, P. D.; Zhang, Y.; Moll, S.; Varga, T.; Namavar, F.; and Weber, William  Anomalous grain growth in the surface region of a nanocrystalline CeO2 film under low-temperature heavy ion irradiation  J. Physical Chemistry B, 85, 214113 (2012).  [DOI:External link] [MSA]
1746.Edmondson, P. D.; Zhang, Y.; Moll, S.; Namavar, F.; and Weber, William  Irradiation effects on microstructure change in nanocrystalline ceria – Phase, lattice stress, grain size and boundaries  Acta Materialia, 60, 5408-5416 (2012).  [DOI:External link] [MSA]
1747.Edmondson, P. D.; Weber, William; Namavar, F.; and Zhang, Y.  Determination of the displacement energy of O, Si, and Zr under electron beam irradiation  J. Nuclear Materials, 422, 86-91 (2012).  [DOI:External link] [MSA]
1748.Englert, M; Krall, L; and Ewing, Rodney C.  Is nuclear fission a sustainable source of energy?  Materials Research Society Bulletin, , (2012).  [DOI: 10.1557/mrs.2012.6External link] [MSA]
1749.Gil, A; Karhanek, D; Miro, P.; Antonio, Mark R.; Nyman, May; and Bo, C  A Journey Inside the U28 Nanocapsule  Chemistry European Journal, , (2012).  [DOI: 10.1002/chem.201200801External link] [MSA]
1750.Grant, Daniel; Weng, Zhehui; Jouffret, L. J.; Burns, Peter C; and Gagliardi, Laura  Synthesis of a uranyl persulfide complex and quantum chemical studies of formation and topologies of hypothetical uranyl persulfide cage clusters  Inorganic Chemistry, 51, 7801-7809 (2012).  [DOI:External link] [MSA]
1751.Hanken, Ben E; Shvareva, T. Y.; Gronbech-Jensen, N.; Stanek, C R; Asta, Mark; and Navrotsky, Alex  Energetics of cation mixing in urania-ceria solid solutions with stoichiometric oxygen concentrations.  Phys. Chem. Chem. Phys., 14, 5680-5685 (2012).  [DOI:External link] [MSA]
1752.Jouffret, L. J.; Wylie, Ernest Miller; and Burns, Peter C  Influence of the organic species and oxoanion in the synthesis of two uranyl sulfate hydrates, (H3O)2[(UO2)2(SO4)3(H2O)]•7 H2O and (H3O)2[(UO2)2(SO4)3(H2O)] •4 H2O, and a uranyl selenate-selenite [C5H6N][(UO2)(SeO4)(HSeO3)]  Zeitschrift für Anorganische und Allgemeine Chemie, 638, 1796-1803 (2012).  [DOI:External link] [MSA]
1753.Knope, Karah E.; de Lill, D. T.; Rowland, Clare E.; Cantos, P. M.; de Bettencourt-Dias, A.; and Cahill, Christopher L.  Uranyl sensitization of samarium (III) luminescence in a two-dimensional coordination polymer  Inorganic Chemistry, 51, 201-206 (2012).  [DOI:External link] [MSA]
1754.Kogawa, M.; Watson, E.B.; Ewing, Rodney C.; and Utsunomiya, S.  Lead in zircon at the atomic scale  American Mineralogist, 97, 1094-1102 (2012).  [DOI:External link] [MSA]
1755.Lang, Maik; Zhang, Fuxiang; Li, W.; Severin, D.; Bender, M.; Klaumunzer, S.; Trautmann, Christina; and Ewing, Rodney C.  Swift heavy ion-induced amorphization of CaZrO3 perovskite  Nuclear Inst. and Methods in Physics Research B, 286, 271–276 (2012).  [DOI: 10.1016/j.nimb.2011.12.028External link] [MSA]
1756.Laverov, N P; Yudintsev, S. V.; Stefanovsky, S V; and Ewing, Rodney C.  Phase composition and radiation stability of matrices for isolation of REE-actinide waste  Doklady Earth Sciences - Geochemistry, 443, 526-531 (2012).  [DOI:External link] [MSA]
1757.Li, W.; Lang, Maik; Gleadow, A.J. W. ; Zdorovets, M.V.; and Ewing, Rodney C.  Thermal annealing of unetched fission tracks in apatite  Earth and Plantetary Science Letters, 321-322, 121-127 (2012).  [DOI:External link] [MSA]
1758.Lian, Jie; Dong, Z; Zhang, J; Wang, L.; White, TA; and Ewing, Rodney C.  Ion Irradiation-induced Amorphization in Vanadate-Phosphate Apatites  Microscopy and Microanalysis, 16, 1634-1635 (2012).  [DOI:External link] [MSA]
1759.Lin, Jian ; Diwu, J.; Cross, Justin N; Villa, Eric M.; and Albrecht-Schmitt, Thomas E.  Cerium(IV) tellurite halides [Ce2Te7O17]X2, X = Cl- or Br-): The first cerium-containing cationic frameworks  Inorganic Chemistry, 51, 10083-10085 (2012).  [DOI:External link] [MSA]
1760.Lin, Jian ; Cross, Justin N; Diwu, J.; Polinski, Matt J.; Villa, Eric M.; and Albrecht-Schmitt, Thomas E.  Unusual coordination for plutonium (IV), cerium (IV), and zirconium (IV) in the cationic layered materials [M2Te4O11]X2 (M = Pu, Ce, Zr; X = Cl, Br)  Inorganic Chemistry, 51, 11949-11954 (2012).  [DOI:External link] [MSA]
1761.Ling, Jie; Ozga, Michael; Stoffer, Megan; and Burns, Peter C  Uranyl peroxide pyrophosphate cage clusters with oxalate and nitrate bridges  Dalton Transactions, 41, 7278-7284 (2012).  [DOI: 10.1039/C2DT30229BExternal link] [MSA]
1762.Ling, Jie; Qiu, Jie; and Burns, Peter C  Uranyl peroxide oxalate cage and core-shell clusters containing 50 and 120 uranyl ions  Inorganic Chemistry, 51, 2403-2408 (2012).  [DOI: 10.1021/ic202380gExternal link] [MSA]
1763.Liu, Guokui; Deifel, N. P.; Cahill, Christopher L.; Zhurov, V. V.; and Pinkerton, A. A.  Charge transfer vibronic transitions in uranyl tetrachloride compounds  J. Physical Chemistry A, 116, 855-864 (2012).  [DOI:External link] [MSA]
1764.Lu, F.; Huang, M.; Yaqoob, F.; Lang, Maik; Namavar, F.; Trautmann, Christina; Sun, H.T.; Ewing, Rodney C.; and Lian, Jie  Displacive Radiation-Induced Structural Contraction in Nanocrystalline ZrN  Applied Physics Letters, 101, 041904 (2012).  [DOI:External link] [MSA]
1765.Lu, F.; Zhang, J; Navrotsky, Alex; Ewing, Rodney C.; and Lian, Jie  Temperature and Size Effects on Radiation-Induced Phase Transformation in Monoclinic Nano-sized Zirconia  Microscopy and Microanalysis, 16, 1624-1625 (2012).  [DOI:External link] [MSA]
1766.Lu, F.; Wang, J. W.; Lang, Maik; Namavar, F.; Trautmann, Christina; Zhang, J. M.; and Ewing, Rodney C.  Amorphization of Nanocrystalline Monoclinic ZrO2 by Swift Heavy Ion Irradiation  Physical Chemistry Chemical Physics, 14, 12295-12300 (2012).  [DOI:External link] [MSA]
1767.Lu, F.; Lang, Maik; Huang, M.; Namavar, F.; Trautmann, Christina; Ewing, Rodney C.; and Lian, Jie  ZrSi formation at ZrN/Si interface induced by ballistic and ionizing radiations  Nuclear Inst. and Methods in Physics Research B, 286, 266–270 (2012).  [DOI: 10.1016/j.nimb.2012.01.023External link] [MSA]
1768.Miro, P.; Ling, Jie; Qiu, Jie; Burns, Peter C; Gagliardi, Laura; and Cramer, C. J.  An experimental and computational study of wheel-shaped {(W5O21)3[(UVIO2)2(O2)3}-30 polyoxometalate  Inorganic Chemistry, 51, 8784-8790 (2012).  [DOI:External link] [MSA]
1769.Nelson, Anna-Gay D.; Alekseev, Evgeny V.; Ewing, Rodney C.; and Albrecht-Schmitt, Thomas E.  Barium uranyl diphosphonates  J. Solid State Chemistry, 192, 153–160 (2012).  [DOI: 10.1016/j.jssc.2012.04.002External link] [MSA]
1770.Nyman, May; and Alam, T. M.  Dynamics of uranyl peroxide nanocapsules  J. American Chemical Society, 134, 20131-20138 (2012).  [DOI:External link] [MSA]
1771.Nyman, May; and Burns, Peter C  A comprehensive comparison of transition-metal and actinyl polyoxometalates  Chemical Society Reviews, , (2012).  [DOI: 10.1039/C2CS35136FExternal link] [MSA]
1772.Panasci, A. F.; Ohlin, C. A.; Harley, S. J.; and Casey, William H.  Rates of water exchange on the [Fe4(OH)2(hpdta)2(H2O)40 molecule and its implication for geochemistry  Inorganic Chemistry, 51, 6731-6738 (2012).  [DOI:External link] [MSA]
1773.Polinski, Matt J.; Grant, Daniel; Wang, Shuao; Alekseev, Evgeny V.; Cross, Justin N; Villa, Eric M.; Depmeier, Wulf; Gagliardi, Laura; and Albrecht-Schmitt, Thomas E.  Differentiating between trivalent lanthanides and actinides  Journal of the American Chemical Society, 134, 10682-10692 (2012).  [DOI:External link] [MSA]
1774.Qiu, Jie; and Burns, Peter C  Clusters of actinides with oxide, peroxide, or hydroxide bridges  Chemical Reviews, , (2012).  [DOI: 10.1021/cr300159xExternal link] [MSA]
1775.Qiu, Jie; Ling, Jie; Sui, A.; Szymanowski, Jennifer E.S.; Simonetti, Antonio; and Burns, Peter C  Time-resolved self-assembly of a fullerene-topology core-shell cluster containing 68 uranyl polyhedra  J. American Chemical Society, 134, 1810-1816 (2012).  [DOI:External link] [MSA]
1776.Rai, Neeraj; Tiwari, Surya; and Maginn, Ed J.  Force Field Development for Actinyl Ions via Quantum Mechanical Calculations: An Approach to Account for Many Body Solvation Effects  J. Physical Chemistry B, 116, 10885-10897 (2012).  [DOI:External link] [MSA]
1777.Rak, Zsolt; Ewing, Rodney C.; and Becker, U.  Hydroxylation-induced surface stability of AnO2 (An = U, Np, Pu) from first-principles  Surface Science, 608, 180-187 (2012).  [DOI:External link] [MSA]
1778.Shvareva, T. Y.; Fein, J. B.; and Navrotsky, A.  Thermodynamic properties of uranyl minerals: Constraints from calorimetry and solubility measurements  Industrial Engineering and Chemical Research, 51, 605-611 (2012).  [DOI:External link] [MSA]
1779.Skomurski, F. N.; Wang, J. W.; Ewing, Rodney C.; and Becker, U.  Charge distribution and oxygen diffusion in hyperstoichiometric uranium dioxide UO2+x (x<0.25) >J. Nuclear Materials, , (2012).  [DOI: 10.1016/j.jnucmat.2011.09.003External link] [MSA]
1780.Tracy, Cameron L.; Lang, Maik; Zhang, J; Zhang, Fuxiang; Wang, Z.; and Ewing, Rodney C.  Structural response to A2TiO5 (A = La, Nd, Sm, Gd) to swift heavy ion irradiation  Acta Materialia, 60, 4477-4486 (2012).  [DOI:External link] [MSA]
1781.Wang, Shuao; Yu, P.; Purse, B. A.; Orta, M. J.; Diwu, J.; Casey, William H.; Phillips, Brian L.; Alekseev, Evgeny V.; Depmeier, Wulf; Hobbs, D. T.; and Albrecht-Schmitt, Thomas E.  Selectivity, kinetics, and efficiency of reversible anion exchange with TcO4- in a supertetrahedral cationic framework  Advanced Functional Materials, , (2012).  [DOI: 10.1002/adfm.201103081External link] [MSA]
1782.Wang, X. J.; Xiao, H. Y.; Zu, X. T.; and Weber, William  A DFT + U study of cerium solubility in La2Zr2O7  J. Nuclear Materials, 424, 69-74 (2012).  [DOI:External link] [MSA]
1783.Xiao, H. Y.; Zhang, Y.; and Weber, William  Ab initio molecular dynamics simulations of low-energy recoil events in ThO2, CeO2, and ZrO2  Physical Review B, 86, 054109 (2012).  [DOI:External link] [MSA]
1784.Zhang, F. X.; Lang, Maik; Zhang , J; Cheng, Z Q; Liu, Z.; Lian, Jie; and Ewing, Rodney C.  Phase transition and abnormal compressibility of lanthanide silicate with the apatite structure  Physical Review B, 85, 214116 (2012).  [DOI:External link] [MSA]
1785.Zhang, F. X.; Lang, Maik; Zhang, J. M.; and Ewing, Rodney C.  Swift heavy ion irradiation of diamond powder  Nuclear Inst. and Methods in Physics Research B, 286, 262-265 (2012).  [DOI: 10.1016/j.nimb.2011.11.035External link] [MSA]
1786.Carmichael, Justin; Rother, Gernot; Browning, James F; Ankner, John; and Banuelos, J. L.  High-pressure cell for neutron reflectometry of supercritical and subcritical fluids at solid interfaces  Review of Scientific Instruments, 83, 04510801 - 045108-6 (2012).  [DOI: 10.1063/1.3697999External link] [NCGC]
1787.Chialvo, A. A.; Vlcek, Lukas; and Cole, David R.  Aqueous CO2 Solutions at Silica Surfaces and within Nanopore Environments: Insights from isobaric-isothermal molecular dynamics  Journal of Physical Chemistry C, 26, 13904-13916 (2012).  [DOI: 10.1021/jp3001948External link] [NCGC]
1788.Fernandez-Martinez, A.; Hu, Yandi; Lee, B.; Jun, Y. S.; and Waychunas, Glenn  In situ Determination of Interfacial Energies between Heterogeneously Nucleated CaCO3 and Quartz Substrates: Thermodynamics of CO2 Mineral Trapping  Environmental Science and Technology, 47, 102-109 (2012).  [DOI: 10.1021/es3014826External link] [NCGC]
1789.Gruszkiewicz, Mirek; Rother, Gernot; Wesolowski, D. J.; and Cole, David R.  Direct Measurements of Pore Fluid Density by Vibrating Tube Densimetry  Langmuir, 28, 5070-5078 (2012).  [DOI: 10.1021/la204517vExternal link] [NCGC]
1790.Hedges, Lester; and Whitelam, S.  Patterning a surface so as to speed nucleation from solution, Soft Matter  Soft Matter, 8, 8624-8635 (2012).  [DOI: 10.1039/C2SM26038GExternal link] [NCGC]
1791.Hu, Yandi; Ray, Jessica R.; and Jun, Y. S.  Na+, Ca2+, and Mg2+ in Brines Affect Supercritical CO2–Brine–Biotite Interactions: Ion Exchange, Biotite Dissolution, and Illite Precipitation  Environmental Science and Technology, 47, 191-197 (2012).  [DOI: 10.1021/es301273gExternal link] [NCGC]
1792.Jung, J. W.; and Wan, Jiamin  Supercritical CO2 and Ionic Strength Effects on Wettability of Silica Surfaces: Equilibrium Contact Angle Measurements  Energy Fuels, 26, 6053–6059 (2012).  [DOI: 10.1021/ef300913tExternal link] [NCGC]
1793.Kim, Yongman; Wan, Jiamin; Kneafsey, Timothy J.; and Tokunaga, Tetsu K.  Dewetting of Silica Surfaces upon Reactions with Supercritical CO2 and Brine: Pore-Scale Studies in Micromodels  Environ. Sci. Technol., 46, 4228-4235 (2012).  [DOI: 10.1021/es204096wExternal link] [NCGC]
1794.Landrot, Gautier; Ajo-Franklin, Jonathan; Yang, Li; Cabrini, Stefano; and Steefel, Carl  Measurement of accessible reactive surface area in a sandstone, with application to CO2 mineralization  Chemical Geology, , 113-125 (2012).  [DOI: 10.1016/j.chemgeo.2012.05.010External link] [NCGC]
1795.Molins, Sergi; Trebotich, David; Steefel, Carl; and Shen, Chaopeng  An investigation of the effect of pore scale flow on average geochemical reaction rates using direct numerical simulation  Water Resources Research, 48, W03527 1 - W03527-11 (2012).  [DOI: 10.1029/2011WR011404External link] [NCGC]
1796.Noiriel, Catherine; Steefel, Carl; Yang, Li; and Ajo-Franklin, Jonathan  Upscaling calcium carbonate precipitation rates from pore to continuum scale  Chemical Geology, , 60-74 (2012).  [DOI: 10.1016/j.chemgeo.2012.05.014External link] [NCGC]
1797.Reeves, Daniel; and rothman, Daniel  Impact of structured heterogeneities on reactive two-phase porous flow  Physical Review E, 86, 031120-1 - 031126-11 (2012).  [DOI: 10.1103/PhysRevE.86.031120External link] [NCGC]
1798.Sel, Ozlem; Radha, A. V.; Dideriksen, Knud; and Navrotsky, Alex  Amorphous Iron (II) Carbonate: Crystallization Energetics and Comparison to Other Carbonate Minerals related to CO2 Sequestration  GEOCHIMICA ET COSMOCHIMICA ACTA, 87, 61-68 (2012).  [DOI: 10.1016/j.gca.2012.03.011External link] [NCGC]
1799.Tokunaga, Tetsu K.  DLVO*-based estimates of adsorbed water film thicknesses in geologic CO2 reservoirs  LANGMUIR, 28, 8001-8009 (2012).  [DOI: 10.1021/la2044587External link] [NCGC]
1800.Belak, Anna A.; Wang, Yizhou; and Van der Ven, Anton  Kinetics of Anatase Electrodes: The Role of Ordering, Anisotropy, and Shape Memory Effects  Chem. Mater., 24, 2894-2898 (2012).  [DOI: 10.1021/cm300881tExternal link] [NECCES]
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