| Constructing a Stable Interface Layer by Tailoring Solvation Chemistry in Carbonate Electrolytes for High‐Performance Lithium‐Metal Batteries Z Piao, P Xiao, R Luo, J Ma, R Gao, C Li, J Tan, K Yu, G Zhou, HM Cheng Advanced Materials 34 (8), 2108400, 2022 | 203 | 2022 |
| Structural and Electronic Features of β-Ni(OH)2 and β-NiOOH from First Principles AJ Tkalych, K Yu, EA Carter The Journal of Physical Chemistry C 119 (43), 24315-24322, 2015 | 199 | 2015 |
| Ab Initio, Physically Motivated Force Fields for CO2 Adsorption in Zeolitic Imidazolate Frameworks JG McDaniel, K Yu, JR Schmidt The Journal of Physical Chemistry C 116 (2), 1892-1903, 2012 | 118 | 2012 |
| A Soft Porous Crystal based upon Organic Cages that Exhibits Guest-Induced Breathing and Selective Gas Separation Z Wang, N Sikdar, SQ Wang, X Li, M Yu, XH Bu, Z Chang, X Zou, Y Chen, ... Journal of the American Chemical Society, 2019 | 112 | 2019 |
| Trace Flue Gas Contaminants Poison Coordinatively Unsaturated Metal–Organic Frameworks: Implications for CO2 Adsorption and Separation K Yu, K Kiesling, JR Schmidt The Journal of Physical Chemistry C 116 (38), 20480-20488, 2012 | 111 | 2012 |
| High-performance lithium metal batteries with a wide operating temperature range in carbonate electrolyte by manipulating interfacial chemistry P Xiao, R Luo, Z Piao, C Li, J Wang, K Yu, G Zhou, HM Cheng ACS Energy Letters 6 (9), 3170-3179, 2021 | 89 | 2021 |
| Transferable next-generation force fields from simple liquids to complex materials JR Schmidt, K Yu, JG McDaniel Accounts of Chemical Research 48 (3), 548-556, 2015 | 86 | 2015 |
| A strategy to stabilize kesterite CZTS for high-performance solar cells K Yu, EA Carter Chemistry of Materials 27 (8), 2920-2927, 2015 | 81 | 2015 |
| Nonflammable, localized high-concentration electrolyte towards a high-safety lithium metal battery C Zhang, S Gu, D Zhang, J Ma, H Zheng, M Zheng, R Lv, K Yu, J Wu, ... Energy Storage Materials 52, 355-364, 2022 | 79 | 2022 |
| Communication: Comparing ab initio methods of obtaining effective U parameters for closed-shell materials K Yu, EA Carter The Journal of Chemical Physics 140 (12), 2014 | 76 | 2014 |
| Physically Motivated, Robust, ab Initio Force Fields for CO2 and N2 K Yu, JG McDaniel, JR Schmidt The Journal of Physical Chemistry B 115 (33), 10054-10063, 2011 | 66 | 2011 |
| Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states K Yu, F Libisch, EA Carter The Journal of Chemical Physics 143 (10), 2015 | 56 | 2015 |
| Many-body effects are essential in a physically motivated CO2 force field K Yu, JR Schmidt The Journal of Chemical Physics 136 (3), 2012 | 48 | 2012 |
| Viscous solvent-assisted planetary ball milling for the scalable production of large ultrathin two-dimensional materials Y Zhou, L Xu, M Liu, Z Qi, W Wang, J Zhu, S Chen, K Yu, Y Su, B Ding, ... ACS nano 16 (7), 10179-10187, 2022 | 45 | 2022 |
| Elucidating Structural Disorder and the Effects of Cu Vacancies on the Electronic Properties of Cu2ZnSnS4 K Yu, EA Carter Chemistry of Materials 28 (3), 864-869, 2016 | 41 | 2016 |
| Density and potential functional embedding: Theory and practice K Yu, CM Krauter, JM Dieterich, EA Carter Fragmentation: Toward Accurate Calculations on Complex Molecular Systems, 81-117, 2017 | 34 | 2017 |
| Band structure engineering and orbital orientation control constructing dual active sites for efficient sulfur redox reaction Z Lao, Z Han, J Ma, M Zhang, X Wu, Y Jia, R Gao, Y Zhu, X Xiao, K Yu, ... Advanced Materials 36 (2), 2309024, 2024 | 33 | 2024 |
| Elucidating the crystal face-and hydration-dependent catalytic activity of hydrotalcites in biodiesel production K Yu, JR Schmidt The Journal of Physical Chemistry C 115 (5), 1887-1898, 2011 | 33 | 2011 |
| Determining and Controlling the Stoichiometry of Cu2ZnSnS4 Photovoltaics: The Physics and Its Implications K Yu, EA Carter Chemistry of Materials 28 (12), 4415-4420, 2016 | 32 | 2016 |
| Extending density functional embedding theory for covalently bonded systems K Yu, EA Carter Proceedings of the National Academy of Sciences 114 (51), E10861-E10870, 2017 | 27 | 2017 |
Emily A. CarterSenior Strategic Advisor for Sustainability Science, PPPL and Gerhard R. Andlinger Professor inVerified email at princeton.edu
