Publications
X Author: John M. Gregoire
2019
Singh, Arunima K., Joseph H. Montoya, John M. Gregoire, and Kristin A. Persson."Robust and synthesizable photocatalysts for CO2 reduction: a data-driven materials discovery."Nature Communications
10.1 (2019). DOI
2018
Zhou, Lan, Aniketa Shinde, Joseph H. Montoya, Arunima K. Singh, Sheraz Gul, Junko Yano, Yifan Ye, Ethan J. Crumlin, Matthias H. Richter, Jason K. Coope, Helge S. Stein, Joel A. Haber, Kristin A. Persson, and John M. Gregoire."Rutile Alloys in the Mn–Sb–O System Stabilize Mn 3+ To Enable Oxygen Evolution in Strong Acid."ACS Catalysis
8.12 (2018) 10938 - 10948. DOI
2017
Newhouse, Paul F., Sebastian E. Reyes-Lillo, Guo Li, Lan Zhou, Aniketa Shinde, Dan Guevarra, Santosh K. Suram, Edwin Soedarmadji, Matthias H. Richter, Xiaohui Qu, Kristin A. Persson, Jeffrey B. Neaton, and John M. Gregoire."Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode."Chemistry of Materials
29.23 (2017) 10027 - 10036. DOI
Singh, Arunima K., Lan Zhou, Aniketa Shinde, Santosh K. Suram, Joseph H. Montoya, Donald Winston, John M. Gregoire, and Kristin A. Persson."Electrochemical Stability of Metastable Materials."Chemistry of Materials
29.23 (2017) 10159 - 10167. DOI
Shinde, Aniketa, Santosh K. Suram, Qimin Yan, Lan Zhou, Arunima K. Singh, Jie Yu, Kristin A. Persson, Jeffrey B. Neaton, and John M. Gregoire."Discovery of Manganese-Based Solar Fuel Photoanodes via Integration of Electronic Structure Calculations, Pourbaix Stability Modeling, and High-Throughput Experiments."ACS Energy Letters
2.10 (2017) 2307 - 2312. DOI
Yan, Qimin, Jie Yu, Santosh K. Suram, Lan Zhou, Aniketa Shinde, Paul F. Newhouse, Wei Chen, Guo Li, Kristin A. Persson, John M. Gregoire, and Jeffrey B. Neaton."Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment."Proceedings of the National Academy of Sciences
114.12 (2017) 3040 - 3043. DOI
2016
Zhou, Lan, Qimin Yan, Jie Yu, Ryan J. R. Jones, Natalie Becerra-Stasiewicz, Santosh K. Suram, Aniketa Shinde, Dan Guevarra, Jeffrey B. Neaton, Kristin A. Persson, and John M. Gregoire."Stability and self-passivation of copper vanadate photoanodes under chemical, electrochemical, and photoelectrochemical operation."Physical Chemistry Chemical Physics
18.14 (2016) 9349 - 9352. DOI