Extensive benchmarking of DFT+ calculations for predicting band gaps NE Kirchner-Hall, W Zhao, Y Xiong, I Timrov, I Dabo Applied Sciences 11 (5), 2395, 2021 | 94 | 2021 |
Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen Y Xiong, QT Campbell, J Fanghanel, CK Badding, H Wang, ... Energy & Environmental Science, 2021 | 34 | 2021 |
Understanding the Photoelectrochemical Properties of Theoretically Predicted Water‐Splitting Catalysts for Effective Materials Discovery RR Katzbaer, MJ Theibault, NE Kirchner‐Hall, Z Mao, I Dabo, HD Abruña, ... Advanced Energy Materials 12 (46), 2201869, 2022 | 9 | 2022 |
Ternary Oxides of - and -Block Metals for Photocatalytic Solar-to-Hydrogen Conversion S Gelin, NE Kirchner-Hall, RR Katzbaer, MJ Theibault, Y Xiong, W Zhao, ... PRX Energy 3 (1), 013007, 2024 | 3 | 2024 |
Process development for adjustable X-ray mirrors M Tendulkar, T Liu, N Kirchner-Hall, N Bishop, Q Tran, CT DeRoo, ... Optics for EUV, X-Ray, and Gamma-Ray Astronomy X 11822, 198-205, 2021 | 2 | 2021 |
Ternary Oxides of Pre-and Post-Transition Metals for Photocatalytic Solar-to-Hydrogen Conversion S Gelin, N Kirchner-Hall, R Katzbaer, M Theibault, Y Xiong, M Cococcioni, ... APS March Meeting Abstracts 2023, M45. 005, 2023 | | 2023 |
Correction: Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen Y Xiong, QT Campbell, J Fanghanel, CK Badding, H Wang, ... Energy & Environmental Science 15 (4), 1695-1695, 2022 | | 2022 |
Determining Schottky barrier heights of 2D GaSe and GaTe with various metals for improved solar cells J Koehl, NE Kirchner-Hall, I Dabo Bulletin of the American Physical Society, 2021 | | 2021 |
Unpinning the relationship between pinning factor and electronegativity by calculating Schottky barrier heights from first principles N Kirchner-Hall, I Dabo Bulletin of the American Physical Society 65, 2020 | | 2020 |
Electronic Supplementary Information (ESI): Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen Y Xiong, QT Campbell, J Fanghanel, CK Badding, H Wang, ... | | |