Jeffrey B Neaton
Publications
Viewing 6 of 6 publications
2020
, , , , and . "An automatically curated first-principles database of ferroelectrics." Scientific Data 7.1 (2020).
2017
, , , , , , , , , , , , and . "Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode." Chemistry of Materials 29.23 (2017) 10027–10036.
, , , , , , , , and . "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.
, , , , , , , , , , , , , , , , and . "Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows." Computational Materials Science 139 (2017) 140–152.
, , , , , , , , , , and . "Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment." Proceedings of the National Academy of Sciences 114.12 (2017) 3040–3043.
2016
, , , , , , , , , , and . "Stability and self-passivation of copper vanadate photoanodes under chemical, electrochemical, and photoelectrochemical operation." Physical Chemistry Chemical Physics 18.14 (2016) 9349–9352.