Publications

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

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