Reversible Mn 2+/Mn 4+ double redox in lithium-excess cathode materials J Lee, DA Kitchaev, DH Kwon, CW Lee, JK Papp, YS Liu, Z Lun, ... Nature 556 (7700), 185-190, 2018 | 608 | 2018 |
Energetics of MnO 2 polymorphs in density functional theory DA Kitchaev, H Peng, Y Liu, J Sun, JP Perdew, G Ceder Physical Review B 93 (4), 045132, 2016 | 268 | 2016 |
Electrochemical trapping of metastable Mn3+ ions for activation of MnO2 oxygen evolution catalysts Z Morgan Chan, DA Kitchaev, J Nelson Weker, C Schnedermann, K Lim, ... Proceedings of the National Academy of Sciences 115 (23), E5261-E5268, 2018 | 233 | 2018 |
Hidden structural and chemical order controls lithium transport in cation-disordered oxides for rechargeable batteries H Ji, A Urban, DA Kitchaev, DH Kwon, N Artrith, C Ophus, W Huang, Z Cai, ... Nature communications 10 (1), 592, 2019 | 207 | 2019 |
Thermodynamics of Phase Selection in MnO2 Framework Structures through Alkali Intercalation and Hydration DA Kitchaev, ST Dacek, W Sun, G Ceder Journal of the American Chemical Society 139 (7), 2672-2681, 2017 | 202 | 2017 |
Efficient first-principles prediction of solid stability: Towards chemical accuracy Y Zhang, DA Kitchaev, J Yang, T Chen, ST Dacek, RA Sarmiento-Pérez, ... npj Computational Materials 4 (1), 9, 2018 | 195 | 2018 |
The interplay between thermodynamics and kinetics in the solid-state synthesis of layered oxides M Bianchini, J Wang, RJ Clément, B Ouyang, P Xiao, D Kitchaev, T Shi, ... Nature Materials 19 (10), 1088-1095, 2020 | 171 | 2020 |
Improved Cycling Performance of Li‐Excess Cation‐Disordered Cathode Materials upon Fluorine Substitution Z Lun, B Ouyang, DA Kitchaev, RJ Clément, JK Papp, ... Advanced Energy Materials 9 (2), 1802959, 2019 | 160 | 2019 |
Design principles for high transition metal capacity in disordered rocksalt Li-ion cathodes DA Kitchaev, Z Lun, WD Richards, H Ji, RJ Clément, M Balasubramanian, ... Energy & Environmental Science 11 (8), 2159-2171, 2018 | 148 | 2018 |
Fluorination of Lithium‐Excess Transition Metal Oxide Cathode Materials WD Richards, ST Dacek, DA Kitchaev, G Ceder Advanced Energy Materials 8 (5), 1701533, 2018 | 146 | 2018 |
Understanding crystallization pathways leading to manganese oxide polymorph formation BR Chen, W Sun, DA Kitchaev, JS Mangum, V Thampy, LM Garten, ... Nature communications 9 (1), 2553, 2018 | 136 | 2018 |
High-fraction brookite films from amorphous precursors JES Haggerty, LT Schelhas, DA Kitchaev, JS Mangum, LM Garten, W Sun, ... Scientific reports 7 (1), 15232, 2017 | 127 | 2017 |
Design Principles for High-Capacity Mn-Based Cation-Disordered Rocksalt Cathodes Z Lun, B Ouyang, Z Cai, RJ Clément, DH Kwon, J Huang, JK Papp, ... Chem 6 (1), 153-168, 2020 | 123 | 2020 |
Pushing the limit of 3d transition metal-based layered oxides that use both cation and anion redox for energy storage M Zhang, DA Kitchaev, Z Lebens-Higgins, J Vinckeviciute, M Zuba, ... Nature Reviews Materials 7 (7), 522-540, 2022 | 113 | 2022 |
Non-equilibrium crystallization pathways of manganese oxides in aqueous solution W Sun, DA Kitchaev, D Kramer, G Ceder Nature communications 10 (1), 573, 2019 | 107 | 2019 |
Effect of Fluorination on Lithium Transport and Short‐Range Order in Disordered‐Rocksalt‐Type Lithium‐Ion Battery Cathodes B Ouyang, N Artrith, Z Lun, Z Jadidi, DA Kitchaev, H Ji, A Urban, G Ceder Advanced Energy Materials, 1903240, 2020 | 96 | 2020 |
Short-range order and unusual modes of nickel redox in a fluorine-substituted disordered rocksalt oxide lithium-ion cathode RJ Clément, D Kitchaev, J Lee, G Ceder Chemistry of Materials 30 (19), 6945-6956, 2018 | 90 | 2018 |
Evaluating structure selection in the hydrothermal growth of FeS2 pyrite and marcasite DA Kitchaev, G Ceder Nature Communications 7, 13799, 2016 | 86 | 2016 |
Structure and Dynamics of Fluorophosphate Na-Ion Battery Cathodes ST Dacek, WD Richards, DA Kitchaev, G Ceder Chemistry of Materials 28 (15), 5450-5460, 2016 | 83 | 2016 |
Rationalizing accurate structure prediction in the meta-GGA SCAN functional JH Yang, DA Kitchaev, G Ceder Physical Review B 100 (3), 035132, 2019 | 82 | 2019 |