Antoine Emery

High-throughput DFT calculations of formation energy, stability and oxygen vacancy formation energy of ABO3 perovskites

Antoine Emery, Chris Wolverton · Scientific Data · 2017 · 551 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

High-Throughput Computational Screening of Perovskites for Thermochemical Water Splitting Applications

Antoine Emery, James E. Saal, Scott Kirklin et al. · Chemistry of Materials · 2016 · 257 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Giant onsite electronic entropy enhances the performance of ceria for water splitting

S. Shahab Naghavi, Antoine Emery, Heine Anton Hansen et al. · Nature Communications · 2017 · 74 citations · Full text

Natural Sciences, Chemistry, Physics +16

Predictions of New ABO3 Perovskite Compounds by Combining Machine Learning and Density Functional Theory

Prasanna V. Balachandran, Antoine Emery, J. E. Gubernatis et al. · Bulletin of the American Physical Society · 2018 · 36 citations

Natural Sciences, Chemistry, Materials Science +13

Phase Identification of the Layered Perovskite Ce_<i>x</i>Sr_2–<i>x</i>MnO₄ and Application for Solar Thermochemical Water Splitting

Débora R. Barcellos, Francisco Gil Coury, Antoine Emery et al. · Inorganic Chemistry · 2019 · 33 citations · Full text

Natural Sciences, Chemistry, Materials Science +13