Showing results 1 to 22 of 22
Ab initio carbon capture in open-site metal-organic frameworks Dzubak, Allison L.; Lin, Li-Chiang; Kim, Jihan; Swisher, Joseph A.; Poloni, Roberta; Maximoff, Sergey N.; Smit, Berend; et al, NATURE CHEMISTRY, v.4, no.10, pp.810 - 816, 2012-10 |
Biomimetic Superoxide Disproportionation Catalyst for Anti-Aging Lithium-Oxygen Batteries Hwang, Chihyun; Yoo, JongTae; Jung, Gwan Yeong; Joo, Se Hun; Kim, Jonghak; Cha, Aming; Han, Jung-Gu; et al, ACS NANO, v.13, no.8, pp.9190 - 9197, 2019-08 |
Computational Analysis of Linker Defective Metal-Organic Frameworks for Membrane Separation Applications Kim, Hoeyeon; Lee, Sangwon; Kim, Jihan, LANGMUIR, v.35, no.11, pp.3917 - 3924, 2019-03 |
Dispersion-Solvent Control of Ionomer Aggregation in a Polymer Electrolyte Membrane Fuel Cell![]() Lee, Ji Hye; Doo, Gisu; Kwon, Sung Hyun; Choi, Sungyu; Kim, Hee-Tak; Lee, Seung Geol, SCIENTIFIC REPORTS, v.8, no.1, pp.10739 - 10746, 2018-07 |
Dynamic metal-polymer interaction for the design of chemoselective and long-lived hydrogenation catalysts![]() Lee, Songhyun; Shin, Seung-Jae; Baek, Hoyong; Choi, Yeonwoo; Hyun, Kyunglim; Seo, Myungeun; Kim, Kyunam; et al, SCIENCE ADVANCES, v.6, no.28, pp.eabb7369, 2020-07 |
Excavating hidden adsorption sites in metal-organic frameworks using rational defect engineering![]() Chong, Sanggyu; Thiele, Gunther; Kim, Jihan, NATURE COMMUNICATIONS, v.8, 2017-11 |
Finely tuned inverse design of metal-organic frameworks with user-desired Xe/Kr selectivity Lim, Yunsung; Park, Junkil; Lee, Sangwon; Kim, Jihan, JOURNAL OF MATERIALS CHEMISTRY A, v.9, no.37, pp.21175 - 21183, 2021-10 |
In silico screening of carbon-capture materials Lin, Li-Chiang; Berger, Adam H.; Martin, Richard L.; Kim, Jihan; Swisher, Joseph A.; Jariwala, Kuldeep; Rycroft, Chris H.; et al, NATURE MATERIALS, v.11, no.7, pp.633 - 641, 2012-07 |
Large-Scale Computational Screening of Zeolites for Ethane/Ethene Separation Kim, Jihan; Lin, Li-Chiang; Martin, Richard L.; Swisher, Joseph A.; Haranczyk, Maciej; Smit, Berend, LANGMUIR, v.28, no.32, pp.11923 - 11928, 2012-08 |
Magnetic Field-Induced Through-Plane Alignment of the Proton Highway in a Proton Exchange Membrane Hyun, Jonghyun; Doo, Gisu; Yuk, Seongmin; Lee, Dong-Hyun; Lee, Dong Wook; Choi, Sungyu; Kwen, Jiyun; et al, ACS APPLIED ENERGY MATERIALS, v.3, no.5, pp.4619 - 4628, 2020-04 |
Modeling adsorption properties of structurally deformed metal-organic frameworks using structure-property map Jeong, WooSeok; Lim, Dae-Woon; Kim, Sungjune; Harale, Aadesh; Yoon, Minyoung; Suh, Myunghyun Paik; Kim, Jihan, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.114, no.30, pp.7923 - 7928, 2017-07 |
Molecular Dynamics Simulation to Reveal Effects of Binder Content on Pt/C Catalyst Coverage in a High-Temperature Polymer Electrolyte Membrane Fuel Cell Kwon, Sung Hyun; Lee, So Young; Kim, Hyoung-Juhn; Kim, Hee-Tak; Lee, Seung Geol, ACS APPLIED NANO MATERIALS, v.1, no.7, pp.3251 - 3258, 2018-07 |
Photochemically Induced Water Harvesting in Metal-Organic Framework Suh, Bong Lim; Chong, Sanggyu; Kim, Jihan, ACS SUSTAINABLE CHEMISTRY & ENGINEERING, v.7, no.19, pp.15854 - 15859, 2019-10 |
Predicting Large CO2 Adsorption in Aluminosilicate Zeolites for Postcombustion Carbon Dioxide Capture Kim, Jihan; Lin, Li-Chiang; Swisher, Joseph A.; Haranczyk, Maciej; Smit, Berend, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.134, no.46, pp.18940 - 18943, 2012-11 |
Probing Gas Adsorption in MOFs Using an Efficient Ab Initio Widom Insertion Monte Carlo Method Lee, Youhan; Poloni, Roberta; Kim, Jihan, JOURNAL OF COMPUTATIONAL CHEMISTRY, v.37, no.32, pp.2808 - 2815, 2016-12 |
Rational modifications of PCN-700 to induce electrical conductivity: a computational study Chong, Sanggyu; Kim, Jihan, DALTON TRANSACTIONS, v.49, no.1, pp.102 - 113, 2020-01 |
Size-Matching Ligand Insertion in MOF-74 for Enhanced CO2 Capture under Humid Conditions Suh, Bong Lim; Lee, Sangwon; Kim, Jihan, JOURNAL OF PHYSICAL CHEMISTRY C, v.121, no.44, pp.24444 - 24451, 2017-11 |
The materials genome in action: identifying the performance limits for methane storage Simon, Cory M.; Kim, Jihan; Gomez-Gualdron, Diego A.; Camp, Jeffrey S.; Chung, Yongchul G.; Martin, Richard L.; Mercado, Rocio; et al, ENERGY & ENVIRONMENTAL SCIENCE, v.8, no.4, pp.1190 - 1199, 2015-04 |
Thermodynamics of gas adsorption in MOFs using Ab Initio calculations Poloni, Roberta; Kim, Jihan, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.569 - 572, 2016-04 |
Tunable Electrical Conductivity of Flexible Metal-Organic Frameworks Chong, Sanggyu; Rogge, Sven M. J.; Kim, Jihan, CHEMISTRY OF MATERIALS, v.34, no.1, pp.254 - 265, 2022-01 |
Understanding gas adsorption in MOF-5/graphene oxide composite materials Lin, Li-Chiang; Paik, Dooam; Kim, Jihan, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.19, no.18, pp.11639 - 11644, 2017-05 |
Understanding the Structural Collapse during Activation of Metal- Organic Frameworks with Copper Paddlewheels Mohamed, Saad Aldin; Kim, Yeongjin; Lee, Junkee; Choe, Wonyoung; Kim, Jihan, INORGANIC CHEMISTRY, v.61, no.25, pp.9702 - 9709, 2022-06 |
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