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 June 30, 2015.

2301.Luca, Oana R; and Crabtree, Robert H  Redox-Active Ligands in Catalysis  Chem. Soc. Rev., 42, 1446-1459 (2013).  [DOI: 10.1039/C2CS35228AExternal link] [CETM]
2302.Peters, Andrea; Rainka, Matthew P.; Krishnan, Lakshmi; Laramie, Sydney; Dodd, Matthew; and Reimer, Jeffrey A.  Electrochemical Characterization of Hydrogen-Bonding Complexation Between Indoline and Nitrogen Containing Bases   J. Electroanal. Chem., , (2013).  [DOI: 10.1016/j.jelechem.2012.12.006External link] [CETM]
2303.Rainka, Matthew P.; Peters, Andrea; and Soloveichik, Grigorii  Base Effects on Electrochemical Oxidation of Indoline  Int. J. Hydrogen Energy, 38, 3773-3777 (2013).  [DOI: 10.1016/j.ijhydene.2011.12.009External link] [CETM]
2304.Stenehjem, Eric D.; Ziatdinov, Vadim R.; Stack, T. Daniel P.; and Chidsey, Christopher E. D.  Gas-Phase Azide Functionalization of Carbon  J. Amer. Chem. Soc., 135, 1110-1116 (2013).  [DOI: 10.1021/ja310410dExternal link] [CETM]
2305.Aminzadeh, Behdad; Chung, D. H.; Bryant, Steven L.; Huh, Chun; and DiCarlo, David A.  CO2 Leakage Prevention by Introducing Engineered  Energy Procedia, 37, 5290 - 5297 (2013).  [DOI: 10.1016/j.egypro.2013.06.446External link] [CFSES]
2306.Arbogast, Todd; Juntunen, Mika; Pool, Jamie; and Wheeler, Mary F.  A discontinuous Galerkin method for two-phase flow in a porous medium enforcing H(div) velocity and continuouscapillary pressure  Computer Geosciences, 17, Issue 6, 1055 - 1078 (2013).  [DOI: 10.1007/s10596-013-9374-yExternal link] [CFSES]
2307.Arbogast, Todd; Estep, D.; Sheehan, B.; and Tavener, S.  A posteriori error estimates for mixed finite element and finite volume methods  IMA Journal of Numerical Analysis Advance A, , 1 - 29 (2013).  [DOI: 10.1093/imanum/drt049External link] [CFSES]
2308.Arbogast, Todd; and Xiao, Hailong  A Multiscale Mortar Mixed Space Based on Homogenization for Heterogeneous Elliptic Problems  SIAM J. Sci. Comput., 51, 377-399 (2013).  [DOI: 10.1137/120874928External link] [CFSES]
2309.Chaudhary, Kuldeep; Cardenas, M. B.; Wolfe, W. W.; Maisano, J. A.; Ketcham, R. A.; and Bennett, P. C.  Pore-scale trapping of supercritical CO2 and the role of grain wettability and shape  Geophysical Research Letters, 40 Issue 15, 3878 - 3882 (2013).  [DOI: 10.1002/grl.50658External link] [CFSES]
2310.Chaudhary, Kuldeep; Cardenas, M. Bayani; Deng, W.; and Bennett, Phillip C.  Pore geometry effects on intrapore viscous to inertial flows and on effective hydraulic parameters  Water Resour. Res., 49, 1-14 (2013).  [DOI: 10.1002/wrcr.20099External link] [CFSES]
2311.Criscenti, Louise J; and Cygan, Randall T  Molecular Simulations of Carbon Dioxide and Water: Cation Solvation  Environmental Science and Technology, 47, 87-94 (2013).  [DOI: 10.1021/es301608cExternal link] [CFSES]
2312.Delshad, Mojdeh; Kong, Xianhui; Tavakoli, Reza; Hosseini, Seyyed A; and Wheeler, Mary F.  Modeling and simulation of carbon sequestration at Cranfield incorporating new physical models  International Journal of Greenhouse Gas Control, , (2013).  [DOI: 10.1016/j.ijggc.2013.03.019External link] [CFSES]
2313.Deng, Wen; Cardenas, M. B.; Kirk, M. F.; Altman, S. J.; and Bennett, P. C.  The effect of permeable biofilm on micro- and macro-scale flow and transport in bioclogged pores  Environmental Science & Technology, 47, 11092–11098 (2013).  [DOI: 10.1021/es402596vExternal link] [CFSES]
2314.Deng, Wen; and Cardenas, M. B.  Dynamics and dislodgment from pore constrictions of a trapped nonwetting droplet stimulated by seismic waves  Water Resources Research, 49 Issue 7, 4206 - 4218 (2013).  [DOI: 10.1002/wrcr.20335External link] [CFSES]
2315.DiCarlo, David A.  Unstable multi-phase flow in porous media: 40 years of advancements  Water Resources Research, 49 Issue 8, 4531-4544 (2013).  [DOI: 10.1002/wrcr.20359External link] [CFSES]
2316.Fanizza, Michael F.; Yoon, Hongkyu; Zhang, Changyong; Oostrom, Martinus; Wietsma, Thomas W.; Hess, Nancy J.; Bowden, Mark E.; Strathmann, Timothy J.; Finneran, Kevin T.; and Werth, Charles J.  Pore-scale evaluation of uranyl phosphate precipitation in a model groundwater system  Water Resour. Res., 49, 874-890 (2013).  [DOI: 10.1002/wrcr.20088External link] [CFSES]
2317.Kirk, M. F.; Santillan, Eugenio F.U.; and Altman, S. J.  CO2-induced shift in microbial activity affects carbon trapping and water quality in anoxic bioreactors  Geochimica et Cosmochimica Acta, 122, 198 - 208 (2013).  [DOI: 10.1016/j.gca.2013.08.018External link] [CFSES]
2318.Martinez, Mario J.; Newell, P; Bishop, J. E.; and Turner, D Z  Coupled multiphase flow and geomechanics model for analysis of joint reactivation during CO2 sequestration operations  International Journal of Greenhouse Gas Control, 17, 148-160 (2013).  [DOI: 10.1016/j.ijggc.2013.05.008External link] [CFSES]
2319.Myshakin, Evgeniy M.; Saidi, Wissam A.; Romanov, Vyacheslav N.; Cygan, Randall T.; and Jordan, Kenneth D.  Molecular Dynamics Simulations of Carbon Dioxide Intercalation in Hydrated Na-Montmorillonite  Journal of Physical Chemistry, 117, 11028-11039 (2013).  [DOI: 10.1021/jp312589sExternal link] [CFSES]
2320.Pencheva, Gergina; Vohralík, Martin; Wheeler, Mary F.; and Wildey, Tim  Robust a Posteriori Error Control and Adaptivity for Multiscale, Multinumerics, and Mortar Coupling  SIAM J. Sci. Comput., 51, 526-554 (2013).  [DOI: 10.1137/110839047External link] [CFSES]
2321.Santillan, Eugenio F.U.; Kirk, Matthew F.; Altman, Susan J.; and Bennett, Phillip C.  Mineral influence on microbial survival during carbon sequestration  Geomicrobiol. J., , (2013).  [DOI: 10.1080/01490451.2013.767396External link] [CFSES]
2322.Tavakoli, Reza; Yoon, Hongkyu; Delshad, Mojdeh; El Sheikh, Ahmed H.; Wheeler, Mary F.; and Arnold, Bill W.  Comparison of ensemble filtering algorithms and null space Monte Carlo for parameter estimation and uncertainty quantification using CO2 Sequestration Data  Water Resources Research, 49 Issue 10, 1 - 20 (2013).  [DOI: 10.1002/2013WR013959External link] [CFSES]
2323.Worthen, Andrew J.; Bryant, Steven L.; Huh, Chun; and Johnston, Keith P.  Carbon Dioxide-in-Water Foams Stabilized with Nanoparticles and Surfactant Acting in Synergy  AIChE J., 59 No. 9, 3490 - 3501 (2013).  [DOI: 10.1002/aic.14124External link] [CFSES]
2324.Worthen, Andrew J; Bagaria, Hitesh G; Chen, Yunshen; Bryant, S. L.; Huh, Chun; and Johnston, Keith P  Nanoparticle-stabilized carbon dioxide-in-water foams with fine texture  J. Colloid and Interface Science, 391, 142 - 151 (2013).  [DOI: 10.1016/j.jcis.2012.09.043External link] [CFSES]
2325.Yoon, Ki Youl; An, Sung Jin; Chen, Yunshen ; Lee, Jae Ho; Bryant, Steven L.; Ruoff, Rodney S; and Johnston, Keith P.  Graphene oxide nanoplatelet dispersions in concentrated NaCl and stabilization  Journal of Colloid and Interface Science, 403, 1-6 (2013).  [DOI: 10.1016/j.jcis.2013.03.012External link] [CFSES]
2326.Yoon, Hongkyu; and Dewers, Thomas  Nanopore structures, statistically representative elementary volumes,  GEOPHYSICAL RESEARCH LETTERS, 40, 1-5 (2013).  [DOI:External link] [CFSES]
2327.Yoon, Hongkyu; Hart, David B.; and McKenna, Sean A.  Parameter estimation and predictive uncertainty in stochastic inverse modeling of groundwater flow: Comparing null-space Monte Carlo and multiple starting point methods  Water Resour. Res., 49, 536–553 (2013).  [DOI: 10.1002/wrcr.20064External link] [CFSES]
2328.Zhang, Y. P.; Peterson, M.; Rupp, J.; Ellett, K.; Celia, M. A.; Gable, C. W.; Bowen, B.; Evans, J.; Bandilla, K.; Mosley, P.; Dewers, T.; and Elliot, T.  Hydrogeologic Controls on Induced Seismicity Incrystalline Basement Rocks Due to Fluid Injection into Basal Reservoirs  Ground Water, 51 Issue 4, 525-538 (2013).  [DOI: 10.1111/gwat.12071External link] [CFSES]
2329.Zhang, Rui; Sen, Mrinal K; and Srinivasan, Sanjay  A prestack basis pursuit seismic inversion  Geophysics, 78, R1 - R11 (2013).  [DOI: 10.1190/geo2011-0502.1External link] [CFSES]
2330.Drisdell, Walter S.; Poloni, Roberta; McDonald, Thomas M; Long, Jeffrey R; Smit, Berend; Neaton, Jeffrey B.; Prendergast, David; and Kortright, Jeffrey B  Probing Adsorption Interactions In Metal- Organic Frameworks Using X-ray Spectroscopy  J. Am. Chem Soc., 135, 18183–18190 (2013).  [DOI: 10.1021/ja408972fExternal link] [CGS]
2331.Feng, Dawei; Chung, Wan-Chun; Wei, Zhangwen; Gu, Zhi-Yuan; Jiang, Hai-Long; Chen, Ying-Pin; Darensbourg, Donald J.; Zhou, Hong-Cai; and ,  Construction of Ultrastable Porphyrin Zr Metal–Organic Frameworks through Linker Elimination  J. Am. Chem Soc., 135, 17105–17110 (2013).  [DOI: 10.1021/ja408084jExternal link] [CGS]
2332.Feng, Dawei; Jiang, Hai-Long; Chen, Ying-Pin; Gu, Zhi-Yuan; Wei, Zhangwen; and Zhou, Hong-Cai  Metal−Organic Frameworks Based on Previously Unknown Zr8/Hf8 Cubic Clusters  Inorg. Chem., 52, 12661−12667 (2013).  [DOI: 10.1021/ic4018536External link] [CGS]
2333.Furukawa, Hiroyasu; Cordova, Kyle E.; O'Keeffe, Michael; and Yaghi, Omar M.  The Chemistry and Applications of Metal-Organic Frameworks  Science, 341, 1230444 (2013).  [DOI: 10.1126/science.1230444External link] [CGS]
2334.Geier, Stephen J.; Mason, Jarad A; Bloch, Eric D; Queen, Wendy L; Hudson, Matthew R; Brown, Craig M; and Long, Jeffrey R  Selective adsorption of ethylene over ethane and propylene over propane in the metal–organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Zn)  Chem. Sci., 4, 2054-2061 (2013).  [DOI: 10.1039/c3sc00032jExternal link] [CGS]
2335.Ghysels, An R.; Vanduyfhuys, Louis; Vandichel, Matthias; Waroquier, Michel; Van Speybroeck, Veronique; and Smit, Berend  On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53  J. Phys. Chem C, 117, 11540–11554 (2013).  [DOI: 10.1021/jp311601qExternal link] [CGS]
2336.Herm, Zoey R; Wiers, Brian M.; Mason, Jarad A; van Baten, Jasper M; Hudson, Matthew R; Zajdel, Pawel; Brown, Craig M; Masciocchi, Norberto; Krishna, Rajamani; and Long, Jeffrey R  Separation of Hexane Isomers in a Metal-Organic Framework with Triangular Channels  Science, 340, 960-964 (2013).  [DOI: 10.1126/science.1234071External link] [CGS]
2337.Jiang, Shan; Jelfs, Kim E.; Holden, Daniel; Hasell, Tom; Chong, Samantha Y.; Haranczyk, Maciej; Trewin, Abbie; and Cooper, Andrew I.  Molecular Dynamics Simulations of Gas Selectivity in Amorphous Porous Molecular Solids  J. Am. Chem Soc., 135, 17818–17830 (2013).  [DOI: 10.1021/ja407374kExternal link] [CGS]
2338.Jiang, Hai-Long; Feng, Dawei; Wang, Kecheng; Gu, Zhi-Yuan; Wei, Zhangwen; Chen, Ying-Pin; and Zhou, Hong-Cai  An Exceptionally Stable, Porphyrinic Zr Metal−Organic Framework Exhibiting pH-Dependent Fluorescence  J. Am. Chem Soc., 135, 13934−13938 (2013).  [DOI: 10.1021/ja406844rExternal link] [CGS]
2339.Jiang, Hai-Long; Makal, Trevor A; and Zhou, Hong-Cai  Interpenetration control in metal–organic frameworks for functional applications  Coord. Chem. Rev., 257, 2232–2249 (2013).  [DOI: 10.1016/j.ccr.2013.03.017External link] [CGS]
2340.Jones, Andrew; Ostrouchov, Christopher; Haranczyk, Maciej; and Iglesia, Enrique  From rays to structures: Representation and selection of void structures in zeolites using stochastic methods  Micropor. Mesopor. Mat., 181, 208-216 (2013).  [DOI: 10.1016/j.micromeso.2013.07.033External link] [CGS]
2341.Joos, Lennart; Swisher, Joseph A.; and Smit, Berend  Molecular Simulation Study of the Competitive Adsorption of H2O and CO2 in Zeolite 13X  Langmuir, 29, 15936–15942 (2013).  [DOI: 10.1021/la403824gExternal link] [CGS]
2342.Kim, Jihan; Maiti, Amitesh; Lin, Li-Chiang; Stolaroff, Joshuah K.; Smit, Berend; and Aines, Roger D.  New materials for methane capture from dilute and medium-concentration sources  Nature Communications, 4, 1694 (2013).  [DOI: 10.1038/ncomms2697External link] [CGS]
2343.Kim, Jihan; Abouelnasr, Mahmoud K.F.; Lin, Li-Chiang; and Smit, Berend  Large-scale Screening of Zeolite Structures for CO2 Membrane Separations   J. Am. Chem Soc., 135, 7545–7552 (2013).  [DOI: 10.1021/ja400267gExternal link] [CGS]
2344.Kong, Xueqian; Deng, Hexiang; Yan, Fangyong; Kim, Jihan; Swisher, Joe A; Smit, Berend; Yaghi, Omar M.; and Reimer, Jeffrey A.  Mapping of Functional Groups in Metal-Organic Frameworks  Science, 341, 882-885 (2013).  [DOI: 10.1126/science.1238339External link] [CGS]
2345.Li, Jian-Rong; Yu, Jiamei; Lu, Weigang; Sun, Lin-Bing; Sculley, Julian; Balbuena, Perla B; and Zhou, Hong-Cai  Porous materials with pre-designed single-molecule traps for CO2 selective adsorption  Nature Communications, 4, 1538 (2013).  [DOI: 10.1038/ncomms2552External link] [CGS]
2346.Lin, Li-Chiang; Kim, Jihan; Kong, Xueqian; Scott, Eric; McDonald, Thomas M; Long, Jeffrey R; Reimer, Jeffrey A.; and Smit, Berend  Understanding CO2 Dynamics in Metal–Organic Frameworks with Open Metal Sites  Angew. Chem. Int. Ed., 52, 4410–4413 (2013).  [DOI: 10.1002/anie.201300446External link] [CGS]
2347.Liu, Yangyang; Chen, Ying-Pin; Liu, Tian-Fu; Yakovenko, Andrey A; Raiff, Aaron M.; and Zhou, Hong-Cai  Selective gas adsorption and unique phase transition properties in a stable magnesium metal-organic framework constructed from infinite metal chains  Cryst. Eng. Comm., 15, 9688-9693 (2013).  [DOI: 10.1039/C3CE41106KExternal link] [CGS]
2348.Liu, Yangyang; Li, Jian-Rong; Verdegaal, Wolgang M.; Liu, Tian-Fu; and Zhou, Hong-Cai  Isostructural Metal–Organic Frameworks Assembled from Functionalized Diisophthalate Ligands through a Ligand-Truncation Strategy  Chem. Eur. J., 19, 5637–5643 (2013).  [DOI: 10.1002/chem.201203297External link] [CGS]
2349.Lu, Weigang; Verdegaal, Wolgang M.; Yu, Jiamei; Balbuena, Perla B; Jeong, Hae-Kwon; and Zhou, Hong-Cai  Building multiple adsorption sites in porous polymer networks for carbon capture applications  Energy Environ. Sci., 6, 3559-3564 (2013).  [DOI: 10.1039/C3EE42226GExternal link] [CGS]
2350.Lu, Weigang; Sculley, Julian; Yuan, Daqiang; Krishna, Rajamani; and Zhou, Hong-Cai  Carbon Dioxide Capture from Air Using Amine-Grafted Porous Polymer Networks  J. Phys. Chem. C, 117, 4057–4061 (2013).  [DOI: 10.1021/jp311512qExternal link] [CGS]
2351.Lu, Weigang; Yuan, Daqiang; Makal, Trevor A; Wei, Zhangwen; Li, Jian-Rong; and Zhou, Hong-Cai  Highly porous metal–organic framework sustained with 12-connected nanoscopic octahedra  Dalton Trans., 42, 1708-1714 (2013).  [DOI: 10.1039/c2dt32479bExternal link] [CGS]
2352.Makal, Trevor A; Wang, Xuan; and Zhou, Hong-Cai  Tuning the Moisture and Thermal Stability of Metal-Organic Frameworks through Incorporation of Pendant Hydrophobic Groups  Cryst. Growth Des., 13, 4760–4768 (2013).  [DOI: 10.1021/cg4009224External link] [CGS]
2353.Martin, Richard L.; Niknam Shahrak, Mahdi; Swisher, Joe A; Simon, Cory M.; Sculley, Julian; Zhou, Hong-Cai; Smit, Berend; and Haranczyk, Maciej  Modeling Methane Adsorption in Interpenetrating Porous Polymer Networks  J. Phys. Chem C, 117, 20037–20042 (2013).  [DOI: 10.1021/jp406918dExternal link] [CGS]
2354.Martin, Richard L.; Lin, Li-Chiang; Jariwala, Kuldeep; Smit, Berend; and Haranczyk, Maciej  Mail-Order Metal–Organic Frameworks (MOFs): Designing Isoreticular MOF-5 Analogues Comprising Commercially Available Organic Molecules  J. Phys. Chem C, 117, 12159–12167 (2013).  [DOI: 10.1021/jp401920yExternal link] [CGS]
2355.Mezger, Markus; Ocko, Benjamin M.; Reichert, Harald; and Deutsche, Moshe  Surface layering and melting in an ionic liquid studied by resonant soft X-ray reflectivity  PNAS, 110, 3733–3737 (2013).  [DOI: 10.1073/pnas.1211749110External link] [CGS]
2356.Peri, Dani; Ciston, Jim; Gándara, Felipe; Zhao, Yingbo; and Yaghi, Omar M.  Crystalline Fibers of Metal−Peptide Double Ladders  Inorg. Chem., 52, 13818−13820 (2013).  [DOI: 10.1021/ic402435zExternal link] [CGS]
2357.Pinheiro, Marielle; Martin, Richard L.; Rycroft, Chris; Jones, Andrew; Iglesia, Enrique; and Haranczyk, Maciej  Characterization and comparison of pore landscapes in crystalline porous materials  J. Mol. Graphics Modell., 44, 208–219 (2013).  [DOI: 10.1016/j.jmgm.2013.05.007External link] [CGS]
2358.Planas, Nora; Dzubak, Allison; Poloni, Roberta; Lin, Li-Chiang; McManus, Alison; McDonald, Thomas M; Neaton, Jeffrey B.; Long, Jeffrey R; Smit, Berend; and Gagliardi, Laura  The Mechanism of Carbon Dioxide Adsorption in an Alkylamine-Functionalized Metal-Organic Framework  J. Am. Chem Soc., 135, 7402–7405 (2013).  [DOI: 10.1021/ja4004766External link] [CGS]
2359.Sculley, Julian; Verdegaal, Wolgang M.; Lu, Weigang; Wriedt, Mario; and Zhou, Hong-Cai  High-Throughput Analytical Model to Evaluate Materials for Temperature Swing Adsorption Processes  Adv. Mater., 25, 3957–3961 (2013).  [DOI: 10.1002/adma.201204695External link] [CGS]
2360.Swisher, Joseph A.; Lin, Li-Chiang; Kim, Jihan; and Smit, Berend  Evaluating mixture adsorption models using molecular simulation  AIChE J., 59, 3054–3064 (2013).  [DOI: 10.1002/aic.14058External link] [CGS]
2361.Wei, Zhangwen; Lu, Weigang; Jiang, Hai-Long; and Zhou, Hong-Cai  A Route to Metal–Organic Frameworks through Framework Templating  Inorg. Chem., 52, 1164–1166 (2013).  [DOI: 10.1021/ic3019937External link] [CGS]
2362.Wriedt, Mario; Yakovenko, Andrey A; Halder, Gregory J,; Prosvirin, Andrey V.; Dunbar, Kim R.; and Zhou, Hong-Cai  Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System  J. Am. Chem Soc., 135, 4040−4050 (2013).  [DOI: 10.1021/ja312347pExternal link] [CGS]
2363.Yakovenko, Andrey A; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; and Zhou, Hong-Cai  Generation and applications of structure envelopes for porous metal–organic frameworks  J. Appl. Cryst., 46, 346-353 (2013).  [DOI: 10.1107/S0021889812050935External link] [CGS]
2364.Yan, Fangyong; Lartrey, Michael; Damodaran, Krishnan; Albenze, Erik; Thompson, Robert L.; Kim, Jihan; Haranczyk, Maciej; Nulwala, Hunaid B.; Luebke, David R.; and Smit, Berend  Understanding the effect of side groups in ionic liquids on carbon-capture properties: a combined experimental and theoretical effort  Phys. Chem. Chem. Phys., 15, 3264-3272 (2013).  [DOI: 10.1039/C3CP43923BExternal link] [CGS]
2365.Cao, Yue; Waugh, J. A. ; Zhang, X. W.; Luo, Jun-Wei; Wang, Q.; Reber, T. J.; Mo, S. K.; Xu, Z.; Yang, A.; Schneeloch, J.; Gu, G; Brahlek, M.; Bansal, N. ; Oh, S.; Zunger, Alex; and Dessau, D. S.  Mapping the Orbital Wavefunction of the Surface States in 3D Topological Insulators  Nat. Phys., 9, 499–504 (2013).  [DOI: 10.1038/nphys2685External link] [CID]
2366.Chang, Kelvin B.; Frazer, Laszlo; Schwartz, Johanna J.; Ketterson, John B.; and Poeppelmeier, Kenneth R.  Removal of Copper Vacancies in Cuprous Oxide Single Crystals Grown by the Floating Zone Method  Crystal Growth & Design, 13, 4914-4922 (2013).  [DOI: 10.1021/cg401081mExternal link] [CID]
2367.Im, Jino; Trimarchi, Giancarlo; Peng, Haowei; Freeman, Arthur J.; Cloet, Veerle; Raw, Adam; and Poeppelmeier, Kenneth R.  KAg11(VO4)4 as a candidate p-type transparent conducting oxide  J. Chem. Phys., 138, 194703 (2013).  [DOI: 10.1063/1.4804556External link] [CID]
2368.Lany, Stephan; and Peng, Haowei  Polymorphic energy ordering of MgO, ZnO, GaN, and MnO within the random phase approximation  Physical Review B, 87, 174113 (2013).  [DOI: 10.1103/PhysRevB.87.174113External link] [CID]
2369.Lany, Stephan  Band-structure calculations for the 3d transition metal oxides in GW  Physical Review B, 87, 085112 (2013).  [DOI: 10.1103/PhysRevB.87.085112External link] [CID]
2370.Mikhaylushkin, Arkady; Zhang, Xiuwen; and Zunger, Alex  Crystal structures and metastability of carbon-boron compounds C3B and C5B  Phys Rev B, 87, 094103 (2013).  [DOI: 10.1103/PhysRevB.87.094103External link] [CID]
2371.Ndione, Paul F.; Garcia, Andres; Widjonarko, N. Edwin; Sigdel, Ajaya K.; Steirer, K. Xerxes; Olson, Dana C.; Parilla, Philip A.; Ginley, David S.; Armstong, Neal R.; Richards, Robin E.; Ratcliff, Erin L.; and Berry, Joseph J.  Highly-Tunable Nickel Cobalt Oxide as a Low-Temperature P-Type Contact in Organic Photovoltaic Devices  Advanced Energy Materials, 3, 524–531 (2013).  [DOI: 10.1002/aenm.201200742External link] [CID]
2372.Peng, Haowei; Zakutayev, Andriy; Lany, Stephan; Paudel, Tula; dAvezac, Mayeul ; Ndione, Paul F.; Perkins, John D.; Nagaraja, Arpun R.; Perry, Nicola H.; Ginley, David S.; Mason, Thomas O.; and Zunger, Alex  Li-doped Cr2MnO4: A new p-type transparent conducting oxide by Computational Materials Design  Adv. Funct. Mater., 23, 5267–5276 (2013).  [DOI: 10.1002/adfm.201300807External link] [CID]
2373.Perry, Nicola H.; and Mason, Thomas O.  Phase Equilibria of the Zinc Oxide–Cobalt Oxide System in Air  Journal of the American Ceramic Society, 96, 966–971 (2013).  [DOI: 10.1111/jace.12103External link] [CID]
2374.Raw, Adam; Ibers, J. A.; and Poeppelmeier, Kenneth R.  Improved synthesis and characterization of the copper Lyonsite-type compound Cu4−xMo3O12  J. Solid State Chem., 200, 165-169 (2013).  [DOI: 10.1016/j.jssc.2013.01.017External link] [CID]
2375.Yu, Liping; Kokenyesi, Robert S.; Keszler, Douglas A.; and Zunger, Alex  Inverse Design of High Absorption Thin-Film Photovoltaic  Adv. Energy Mater., 3, 43–48 (2013).  [DOI: 10.1002/aenm.201200538External link] [CID]
2376.Zakutayev, Andriy; Zhang, Xiuwen; Nagaraja, Arpun R.; Yu, Liping; Lany, Stephan; Mason, Thomas O.; Ginley, David S.; and Zunger, Alex  Theoretical Prediction and Experimental Realization of New Stable V-IX-IV Semiconductors using the Inverse Design Approach  J. Am. Chem. Soc., 135, 27 (2013).  [DOI: 10.1021/ja311599gExternal link] [CID]
2377.Zakutayev, Andriy; Luciano, F. J.; Sigdel, Ajaya K.; Ndione, Paul F.; Bollinger, P.; Perkins, John D.; Berry, Joseph J.; Parilla, Philip A.; and Ginley, David S.  Development and Application of an Instrument for Spatially Resolved Seebeck Coefficient Measurements  Rev. Sci. Instrum., 84, 053905 (2013).  [DOI: 10.1063/1.4804634External link] [CID]
2378.Zhang, L; Luo, Jun-Wei; Saraiva, Andre; Koiller, Belita; and Zunger, Alex  Genetic design of enhanced valley splitting towards a spin qubit in silicon  Nat. Commun., 4, 2396 (2013).  [DOI: 10.1038/ncomms3396External link] [CID]
2379.Bulusu, Anuradha; Paniagua, Sergio A.; MacLeod, Bradley A.; Sigdel, Ajaya K.; Berry, Joseph J.; Olson, Dana C.; Marder, Seth R.; and Graham, Samuel  Efficient Modification of Metal Oxide Surfaces With Phosphonic Acids, By Spray Coating  Langmuir, 29(12), 3935–3942 (2013).  [DOI: 10.1021/la303354tExternal link] [CISSEM]
2380.Bulusu, Anuradha; Kim, Hyungchul; Samet, David; and Graham, Samuel  Improving the stability of atomic layer deposited alumina films in aqueous environments with metal oxide capping layers  J. Phys. D: Appl. Phys., 46(8), 084014 (2013).  [DOI: 10.1088/0022-3727/46/8/084014External link] [CISSEM]
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