| Surface Hydrides on Fe2P Electrocatalyst Reduce CO2 at Low Overpotential: Steering Selectivity to Ethylene Glycol KUD Calvinho, AW Alherz, KMK Yap, AB Laursen, S Hwang, ZJL Bare, ... Journal of the American Chemical Society 143 (50), 21275-21285, 2021 | 42 | 2021 |
| Electrochemical CO2 Reduction over Metal-/Nitrogen-Doped Graphene Single-Atom Catalysts Modeled Using the Grand-Canonical Density Functional Theory P Brimley, H Almajed, Y Alsunni, AW Alherz, ZJL Bare, WA Smith, ... ACS Catalysis 12 (16), 10161-10171, 2022 | 28 | 2022 |
| A computational framework to accelerate the discovery of perovskites for solar thermochemical hydrogen production: Identification of Gd perovskite oxide redox mediators ZJL Bare, RJ Morelock, CB Musgrave Advanced Functional Materials 32 (25), 2200201, 2022 | 17 | 2022 |
| Predicting spinel disorder and its effect on oxygen transport kinetics in hercynite RM Trottier, ZJL Bare, SL Millican, CB Musgrave ACS applied materials & interfaces 12 (21), 23831-23843, 2020 | 15 | 2020 |
| Wastewater reuse ZJ Bare | 15 | 2016 |
| Computationally Accelerated Discovery and Experimental Demonstration of Gd0.5La0.5Co0.5Fe0.5O3 for Solar Thermochemical Hydrogen Production JE Park, ZJL Bare, RJ Morelock, MA Rodriguez, A Ambrosini, ... Frontiers in Energy Research 9, 750600, 2021 | 12 | 2021 |
| Dataset of theoretical multinary perovskite oxides ZJL Bare, RJ Morelock, CB Musgrave Scientific Data 10 (1), 244, 2023 | 10 | 2023 |
| Bond-valence parameterization for the accurate description of DFT energetics RJ Morelock, ZJL Bare, CB Musgrave Journal of Chemical Theory and Computation 18 (5), 3257-3267, 2022 | 5 | 2022 |
| Accurate Crystal Structure Prediction of New 2D Hybrid Organic Inorganic Perovskites N Karimitari, WJ Baldwin, EW Muller, ZJL Bare, WJ Kennedy, G Csányi, ... arXiv preprint arXiv:2403.06955, 2024 | | 2024 |
| Leveraging Domain Adaptation for Accurate Machine Learning Predictions of New Halide Perovskites DD Gupta, ZJL Bare, S Yew, S Adhikari, B DeCost, Q Zhang, C Musgrave, ... arXiv preprint arXiv:2401.10998, 2024 | | 2024 |
| Theoretical Multinary Perovskite Oxides Dataset Z Bare Lawrence Berkeley National Lab.(LBNL), Berkeley, CA (United States), 2023 | | 2023 |
| Computationally Accelerated Discovery of Perovskite Oxides for Solar Thermochemical Hydrogen Production ZJL Bare University of Colorado at Boulder, 2023 | | 2023 |
| Computationally Accelerated Discovery and Experimental Demonstration of Gd Thermochemical 0.5 La0. 5Co0. 5Fe0. 5 Hydrogen O3 for Solar Production JE Park, ZJL Bare, RJ Morelock, MA Rodriguez, A Ambrosini, ... Recent Advances in Solar-driven Thermochemical Fuel Production and Thermal …, 2022 | | 2022 |
| Computationally Guided Discovery of Mixed Mn/Ni Perovskites for Solar Thermochemical Hydrogen Production at High H2 Conversion RJ Morelock, JT Tran, JA Trindell, ZJL Bare, AH McDaniel, AW Weimer, ... Chemistry of Materials, 2022 | | 2022 |
| Structural and Stability Trends in Single (ABO3) Perovskite Oxides from DFT-Optimized Bond Valence Structures Z Bare, R Morelock, C Sutton, CB Musgrave 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Surface Hydrides on Fe₂P Electrocatalyst Reduce CO₂ at Low Overpotential: Steering Selectivity to Ethylene Glycol KUD Calvinho, AW Alherz, KMK Yap, AB Laursen, S Hwang, ZJL Bare, ... | | 2021 |
Charles MusgraveRobert H. Davis Professor of Chemical and Biological Engineering, University of Colorado BoulderVerified email at colorado.edu
