| High propene/propane selectivity in isostructural metal–organic frameworks with high densities of open metal sites YS Bae, CY Lee, KC Kim, OK Farha, P Nickias, JT Hupp, SBT Nguyen, ... Angewandte Chemie International Edition 51 (8), 1857-1860, 2012 | 454 | 2012 |
| An extended charge equilibration method CE Wilmer, KC Kim, RQ Snurr The journal of physical chemistry letters 3 (17), 2506-2511, 2012 | 349 | 2012 |
| Self-polymerized dopamine as an organic cathode for Li-and Na-ion batteries T Liu, KC Kim, B Lee, Z Chen, S Noda, SS Jang, SW Lee Energy & Environmental Science 10 (1), 205-215, 2017 | 267 | 2017 |
| First-principles density functional theory modeling of Li binding: thermodynamics and redox properties of quinone derivatives for lithium-ion batteries KC Kim, T Liu, SW Lee, SS Jang Journal of the American Chemical Society 138 (7), 2374-2382, 2016 | 211 | 2016 |
| Assessing nanoparticle size effects on metal hydride thermodynamics using the Wulff construction KC Kim, B Dai, JK Johnson, DS Sholl Nanotechnology 20 (20), 204001, 2009 | 179 | 2009 |
| Applicability of using CO 2 adsorption isotherms to determine BET surface areas of microporous materials KC Kim, TU Yoon, YS Bae Microporous and Mesoporous Materials, 2016 | 149 | 2016 |
| Application of DFT-based machine learning for developing molecular electrode materials in Li-ion batteries O Allam, BW Cho, KC Kim, SS Jang RSC advances 8 (69), 39414-39420, 2018 | 117 | 2018 |
| High-Density Lithium-Ion Energy Storage Utilizing the Surface Redox Reactions in Folded Graphene Films T Liu, KC Kim, R Kavian, SS Jang, SW Lee Chemistry of Materials 27 (9), 3291-3298, 2015 | 84 | 2015 |
| AZn2(BH4)5 (A = Li, Na) and NaZn(BH4)3: Structural Studies R Cerny, K Chul Kim, N Penin, V D’Anna, H Hagemann, DS Sholl The Journal of Physical Chemistry C 114 (44), 19127-19133, 2010 | 77 | 2010 |
| Modeling water and ammonia adsorption in hydrophobic metal–organic frameworks: single components and mixtures P Ghosh, KC Kim, RQ Snurr The Journal of Physical Chemistry C 118 (2), 1102-1110, 2014 | 71 | 2014 |
| Crystal structures and thermodynamic investigations of LiK (BH4) 2, KBH4, and NaBH4 from first-principles calculations KC Kim, DS Sholl The Journal of Physical Chemistry C 114 (1), 678-686, 2010 | 70 | 2010 |
| A review on design strategies for metal hydrides with enhanced reaction thermodynamics for hydrogen storage applications KC Kim International Journal of Energy Research 42 (4), 1455-1468, 2018 | 61 | 2018 |
| Computational screening of functional groups for ammonia capture in metal–organic frameworks KC Kim, D Yu, RQ Snurr Langmuir 29 (5), 1446-1456, 2013 | 60 | 2013 |
| Selective dynamic separation of Xe and Kr in Co-MOF-74 through strong binding strength between Xe atom and unsaturated Co2+ site SJ Lee, KC Kim, TU Yoon, MB Kim, YS Bae Microporous and Mesoporous Materials 236, 284-291, 2016 | 55 | 2016 |
| Molecular dynamics simulations of aldol condensation catalyzed by alkylamine-functionalized crystalline silica surfaces KC Kim, EG Moschetta, CW Jones, SS Jang Journal of the American Chemical Society 138 (24), 7664-7672, 2016 | 53 | 2016 |
| Design strategies for promising organic positive electrodes in lithium-ion batteries: quinones and carbon materials KC Kim Industrial & Engineering Chemistry Research 56 (42), 12009-12023, 2017 | 50 | 2017 |
| Systematic molecular design of ketone derivatives of aromatic molecules for lithium‐ion batteries: First‐principles DFT modeling JH Park, T Liu, KC Kim, SW Lee, SS Jang ChemSusChem 10 (7), 1584-1591, 2017 | 48 | 2017 |
| Microwave-assisted design of nanoporous graphene membrane for ultrafast and switchable organic solvent nanofiltration J Kang, Y Ko, JP Kim, JY Kim, J Kim, O Kwon, KC Kim, DW Kim Nature Communications 14 (1), 901, 2023 | 42 | 2023 |
| Unveiled correlations between electron affinity and solvation in redox potential of quinone-based sodium-ion batteries KC Kim, T Liu, KH Jung, SW Lee, SS Jang Energy Storage Materials 19, 242-250, 2019 | 40 | 2019 |
| Design strategies for metal-organic frameworks selectively capturing harmful gases KC Kim Journal of Organometallic Chemistry 854, 94-105, 2018 | 40 | 2018 |
