Browse "Dept. of Chemical and Biomolecular Engineering(생명화학공학과)" by Subject TOTAL-ENERGY CALCULATIONS
Showing results 1 to 15 of 15
| 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 |
| Classifying Intermetallic Tetragonal Phase of All-d-Metal Heusler Alloys for Catalysis Applications Jin, Taewon; Jung, Yousung, TOPICS IN CATALYSIS, v.65, no.1-4, pp.208 - 214, 2022-02 |
| CO2 Adsorption in Fe-2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations Borycz, Joshua; Lin, Li-Chiang; Bloch, Eric D.; Kim, Jihan; Dzubak, Allison L.; Maurice, Remi; Semrouni, David; et al, JOURNAL OF PHYSICAL CHEMISTRY C, v.118, no.23, pp.12230 - 12240, 2014-06 |
| Controlled Doping of Electrocatalysts through Engineering Impurities Kim, Se-Ho; Yoo, Su-Hyun; Shin, Sangyong; El-Zoka, Ayman A.; Kasian, Olga; Lim, Joohyun; Jeong, Jiwon; et al, ADVANCED MATERIALS, v.34, no.28, 2022-07 |
| Edge-Functionalized Graphene Nanoribbon Chemical Sensor: Comparison with Carbon Nanotube and Graphene Cho, Kyeong Min; Cho, Soo-Yeon; Chong, Sanggyu; Koh, Hyeong-Jun; Kim, Dae Woo; Kim, Jihan; Jung, Hee-Tae, ACS APPLIED MATERIALS & INTERFACES, v.10, no.49, pp.42905 - 42914, 2018-12 |
| Enhanced redox performance of LaFeO3 perovskite through in-situ exsolution of iridium nanoparticles for chemical looping steam methane reforming Kim, Yikyeom; Kim, Hyeon Seok; Kang, Dohyung; Kim, Minkyu; Lee, Jae Woo, CHEMICAL ENGINEERING JOURNAL, v.468, 2023-07 |
Metallic Ti3C2TX MXene Gas Sensors with Ultrahigh Signal-to-Noise Ratio Kim, Seon Joon; Koh, Hyeong-Jun; Ren, Chang E.; Kwon, Ohmin; Maleski, Kathleen; Cho, Soo-Yeon; Anasori, Babak; et al, ACS NANO, v.12, no.2, pp.986 - 993, 2018-02 |
| Molybdenum carbide chemical sensors with ultrahigh signal- to- noise ratios and ambient stability Cho, Soo-Yeon; Kim, Ju Ye; Kwon, Ohmin; Kim, Jihan; Jung, Hee-Tae, Journal of Materials Chemistry A, v.6, no.46, pp.23408 - 23416, 2018-12 |
| Overlaying Monolayer Metal-Organic Framework on PtSe2-Based Gas Sensor for Tuning Selectivity Cho, Seong Rae; Kim, Dong-Ha; Jeon, Mingyu; Pragya, Rani; Gyeon, Minseung; Kim, Yongman; Jo, Min-kyung; et al, ADVANCED FUNCTIONAL MATERIALS, v.32, no.47, 2022-11 |
| Quasi-graphitic carbon shell-induced Cu confinement promotes electrocatalytic CO2 reduction toward C2+ products Kim, Ji-Yong; Hong, Deokgi; Lee, Jae-Chan; Kim, Hyoung Gyun; Lee, Sungwoo; Shin, Sangyong; Kim, Beomil; et al, NATURE COMMUNICATIONS, v.12, no.1, pp.3765, 2021-06 |
| Splitting of Hydrogen Atoms into Proton-Electron Pairs at BaO-Ru Interfaces for Promoting Ammonia Synthesis under Mild Conditions Baik, Yaejun; Kwen, Minjae; Lee, Kyungho; Chi, Seunghyuck; Lee, Susung; Cho, Kanghee; Kim, Hyungjun; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.145, no.20, pp.11364 - 11374, 2023-05 |
| Structure dependent active sites of NixSy as electrocatalysts for hydrogen evolution reaction Chung, Dong Young; Han, Joung Woo; Lim, Dong-Hee; Jo, Jun-Ho; Yoo, Sung Jong; Lee, Hyun-Joo; Sung, Yung-Eun, NANOSCALE, v.7, no.12, pp.5157 - 5163, 2015-03 |
| Tailoring hierarchical pore structures in carbon scaffolds for hydrogen storage of nanoconfined magnesium Han, Dong Ju; Kwon, Choah; Cho, YongJun; Sakaki, Kouji; Kim, Sangtae; Cho, Eun Seon, CHEMICAL ENGINEERING JOURNAL, v.481, pp.148451, 2024-02 |
| Thermal Stability Enhanced Tetraethylenepentamine/Silica Adsorbents for High Performance CO2 Capture Park, Sunghyun; Choi, Keunsu; Yu, Hyun Jung; Won, Young-June; Kim, Chaehoon; Choi, Minkee; Cho, So-Hye; et al, INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, v.57, no.13, pp.4632 - 4639, 2018-04 |
| 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 |
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