Chemical Pressure-Driven Enhancement of the Hydrogen Evolving Activity of Ni2P from Nonmetal Surface Doping Interpreted via Machine Learning von Wexler, Robert B, Martirez, John Mark P, Rappe, Andrew M

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Active Role of Phosphorus in the Hydrogen Evolving Activity of Nickel Phosphide (0001) Surfaces von Wexler, Robert B, Martirez, John Mark P, Rappe, Andrew M

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Mechanistic Insights into CO2 Electroreduction on Ni2P: Understanding Its Selectivity toward Multicarbon Products von Banerjee, Sayan, Kakekhani, Arvin, Wexler, Robert B, Rappe, Andrew M

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Climbing the Volcano of Electrocatalytic Activity while Avoiding Catalyst Corrosion: Ni3P, a Hydrogen Evolution Electrocatalyst Stable in Both Acid and Alkali von Laursen, Anders B, Wexler, Robert B, Whitaker, Marianna J, Izett, Edward J, Calvinho, Karin U. D, Hwang, Shinjae, Rucker, Ross, Wang, Hao, Li, Jing, Garfunkel, Eric, Greenblatt, Martha, Rappe, Andrew M, Dismukes, G. Charles

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Comprehensive defect suppression in perovskite nanocrystals for high-efficiency light-emitting diodes von Kim, Young-Hoon, Kim, Sungjin, Kakekhani, Arvin, Park, Jinwoo, Park, Jaehyeok, Lee, Yong-Hee, Xu, Hengxing, Nagane, Satyawan, Wexler, Robert B., Kim, Dong-Hyeok, Jo, Seung Hyeon, Martínez-Sarti, Laura, Tan, Peng, Sadhanala, Aditya, Park, Gyeong-Su, Kim, Young-Woon, Hu, Bin, Bolink, Henk J., Yoo, Seunghyup, Friend, Richard H., Rappe, Andrew M., Lee, Tae-Woo

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Surface phase diagrams from nested sampling von Yang, Mingrui, Pártay, Livia B, Wexler, Robert B

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Automatic Prediction of Surface Phase Diagrams Using Ab Initio Grand Canonical Monte Carlo von Wexler, Robert B, Qiu, Tian, Rappe, Andrew M

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Optimizing kesterite solar cells from Cu2ZnSnS4 to Cu2CdGe(S,Se)4 von Wexler, Robert B, Gopalakrishnan Sai Gautam, Carter, Emily A

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Stable Phosphorus-Enriched (0001) Surfaces of Nickel Phosphides von Wexler, Robert B, Martirez, John Mark P, Rappe, Andrew M

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Engineering Relaxor Behavior in (BaTiO3)n/(SrTiO3)n Superlattices von Lupi, Eduardo, Wexler, Robert B., Meyers, Derek, Zahradnik, Anton, Jiang, Yizhe, Susarla, Sandhya, Ramesh, Ramamoorthy, Martin, Lane W., Rappe, Andrew M.

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Multiple and nonlocal cation redox in Ca-Ce-Ti-Mn oxide perovskites for solar thermochemical applications von Wexler, Robert B, Sai Gautam, Gopalakrishnan, Bell, Robert T, Shulda, Sarah, Strange, Nicholas A, Trindell, Jamie A, Sugar, Joshua D, Nygren, Eli, Sainio, Sami, McDaniel, Anthony H, Ginley, David, Carter, Emily A, Stechel, Ellen B

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Factors Governing Oxygen Vacancy Formation in Oxide Perovskites von Wexler, Robert B, Gautam, Gopalakrishnan Sai, Stechel, Ellen B, Carter, Emily A

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Role of Proton Hopping in Surface Charge Transport on Tin Dioxide As Revealed by the Thermal Dependence of Conductance von Wexler, Robert B, Sohlberg, Karl

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Sr-induced dipole scatter in BaxSr1−xTiO3: Insights from a transferable-bond valence-based interatomic potential von Wexler, Robert B, Qi, Yubo, Rappe, Andrew M

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Exchange-correlation functional challenges in modeling quaternary chalcogenides von Wexler, Robert B., Gautam, Gopalakrishnan Sai, Carter, Emily A.

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Chemical Pressure-Driven Enhancement of the Hydrogen Evolving Activity of Ni 2 P from Nonmetal Surface Doping Interpreted via Machine Learning von Wexler, Robert B, Martirez, John Mark P, Rappe, Andrew M

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Large-area synthesis of high-quality monolayer 1T'-WTe2 flakes von Naylor, Carl H, Parkin, William M, Gao, Zhaoli, Kang, Hojin, Noyan, Mehmet, Wexler, Robert B, Tan, Liang Z, Kim, Youngkuk, Kehayias, Christopher E, Streller, Frank, Zhou, Yu Ren, Carpick, Robert, Luo, Zhengtang, Park, Yung Woo, Rappe, Andrew M, Drndi, Marija, Kikkawa, James M, Johnson, A T Charlie

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JARVIS-Leaderboard: a large scale benchmark of materials design methods von Choudhary, Kamal, Wines, Daniel, Li, Kangming, Garrity, Kevin F., Gupta, Vishu, Romero, Aldo H., Krogel, Jaron T., Saritas, Kayahan, Fuhr, Addis, Ganesh, Panchapakesan, Kent, Paul R. C., Yan, Keqiang, Lin, Yuchao, Ji, Shuiwang, Blaiszik, Ben, Reiser, Patrick, Friederich, Pascal, Agrawal, Ankit, Tiwary, Pratyush, Beyerle, Eric, Minch, Peter, Rhone, Trevor David, Takeuchi, Ichiro, Wexler, Robert B., Mannodi-Kanakkithodi, Arun, Ertekin, Elif, Mishra, Avanish, Mathew, Nithin, Wood, Mitchell, Rohskopf, Andrew Dale, Hattrick-Simpers, Jason, Wang, Shih-Han, Achenie, Luke E. K., Xin, Hongliang, Williams, Maureen, Biacchi, Adam J., Tavazza, Francesca

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Relationship between the Surface Reconstruction of Nickel Phosphides and Their Activity toward the Hydrogen Evolution Reaction von Banerjee, Sayan, Kakekhani, Arvin, Wexler, Robert B., Rappe, Andrew M.

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Ab Initio Study of Hydrogen Niobate HNbO3: Structural, Thermodynamic, Dielectric, and Optical Properties von Gao, Lingyuan, Wexler, Robert B., Fei, Ruixiang, Rappe, Andrew M.

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