Browse "CH-Journal Papers(저널논문)" by Subject TOTAL-ENERGY CALCULATIONS
Showing results 1 to 15 of 15
| A Radical Polymer as a Two-Dimensional Organic Half Metal Lee, EC; Choi, YC; Kim, Woo Youn; Singh, NJ; Lee, S; Shim, JH; Kim, KS, CHEMISTRY-A EUROPEAN JOURNAL, v.16, no.40, pp.12141 - 12146, 2010 |
| Abnormal Hypsochromic Shifts of Surface Plasmon Scattering by Atomic Ordering in Gold-Copper Intermetallic Nanoparticles Oh, Hyuncheol; Kim, Minjun; Park, Youngchan; Ryu, Seol; Song, Hyunjoon, JOURNAL OF PHYSICAL CHEMISTRY C, v.125, no.36, pp.19936 - 19946, 2021-09 |
| Composition-Controlled PtCo Alloy Nanocubes with Tuned Electrocatalytic Activity for Oxygen Reduction Choi, Sang-Il; Lee, Su-Un; Kim, Woo Youn; Choi, Ran; Hong, Kwang-Woo; Nam, Ki-Min; Han, Sang Woo; et al, ACS APPLIED MATERIALS & INTERFACES, v.4, no.11, pp.6228 - 6234, 2012-11 |
| First-Principles Calculation of Terahertz Absorption with Dispersion Correction of 2,2 '-Bithiophene as Model Compound Kim, Jong-Taek; Kwon, O-Pil; Jazbinsek, Mojca; Park, Young-Choon; Lee, Yoon-Sup, JOURNAL OF PHYSICAL CHEMISTRY C, v.119, no.22, pp.12598 - 12607, 2015-06 |
| 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 |
| Probing Surface Chemistry at an Atomic Level: Decomposition of 1-Propanethiol on GaP(001) (2 x 4) Investigated by STM, XPS, and DFT Jeon, Seokmin; Kim, Minho; Doak, Peter W.; Atwater, Harry A.; Kim, Hyungjun, JOURNAL OF PHYSICAL CHEMISTRY C, v.123, no.5, pp.2964 - 2972, 2019-02 |
| Quantum Electronic Transport of Topological Surface States in beta-Ag2Se Nanowire Kim, Jihwan; Hwang, Ah Reum; Lee, Sang-Hoon; Jhi, Seung-Hoon; Lee, Sunghun; Park, Yun Chang; Kim, Si-In; et al, ACS NANO, v.10, no.4, pp.3936 - 3943, 2016-04 |
Spectroscopic capture of a low-spin Mn(IV)-oxo species in Ni-Mn3O4 nanoparticles during water oxidation catalysis Park, Sunghak; Jin, Kyoungsuk; Lim, Hyung Kyu; Kim, Jin; Cho, Kang Hee; Choi, Seungwoo; Seo, Hongmin; et al, NATURE COMMUNICATIONS, v.11, no.1, 2020-10 |
| 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 |
| Theoretical SERS study of the strength and suitability of Cu12 nanostar for SERS: Complete theoretical studies, coinage metal SM12 comparisons, benzothiazole (BTH) adsorbent Al-Otaibi, Jamelah S.; Mary, Y. Sheena; Mary, Y. Shyma; Trivedi, Ravi Kumar; Chakraborty, Brahmananda; Churchill, David G., COMPUTATIONAL AND THEORETICAL CHEMISTRY, v.1217, 2022-11 |
| Triphasic Metal Oxide Photocatalyst for Reaction Site-Specific Production of Hydrogen Peroxide from Oxygen Reduction and Water Oxidation Kim, Keon-Han; Kim, Se-Jun; Choi, Won Ho; Lee, Heebin; Moon, Byeong Cheul; Kim, Gi Hwan; Choi, Jae Won; et al, ADVANCED ENERGY MATERIALS, v.12, no.18, 2022-05 |
| Ultrafast charge transfer coupled with lattice phonons in two-dimensional covalent organic frameworks Kim, Tae Wu; Jun, Sunhong; Ha, Yoonhoo; Yadav, Rajesh K.; Kumar, Abhishek; Yoo, Chung-Yul; Oh, In Hwan; et al, NATURE COMMUNICATIONS, v.10, 2019-04 |
| uMBD: A Materials-Ready Dispersion Correction That Uniformly Treats Metallic, Ionic, and van der Waals Bonding Kim, Minho; Kim, Won June; Gould, Timothy; Lee, Eok Kyun; Lebegue, Sebastien; Kim, Hyungjun, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.142, no.5, pp.2346 - 2354, 2020-02 |
| Unexpectedly Large Contribution of Oxygen to Charge Compensation Triggered by Structural Disordering: Detailed Experimental and Theoretical Study on a Li3NbO4-NiO Binary System Fukuma, Ryutaro; Harada, Maho; Zhao, Wenwen; Sawamura, Miho; Noda, Yusuke; Nakayama, Masanobu; Goto, Masato; et al, ACS CENTRAL SCIENCE, v.8, no.6, pp.775 - 794, 2022-05 |
| Unravelling the complex causality behind Fe-N-C degradation in fuel cells Bae, Geunsu; Kim, Minho M.; Han, Man Ho; Cho, Junsic; Kim, Dong Hyun; Sougrati, Moulay-Tahar; Kim, Jinjong; et al, NATURE CATALYSIS, v.6, no.12, pp.1140 - 1150, 2023-12 |
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