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Browsing by 키워드 : Density functional theory

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전체 결과 13건 중 1-13 번을 표시중입니다.

1 Article Catalytic activity of Ni3Mo surfaces for hydrogen evolution reaction: A density functional theory approach Nguyet N. T. Pham ; 강성구 ; 김형준 ; et al 2021
2 Article Catalytic activity of Ni3Mo surfaces for hydrogen evolution reaction: A density functional theory approach Nguyet N. T. Pham ; 강성구 ; 김형준 ; et al 2021
3 Article Dehydrogenation of a liquid organic hydrogen carrier compound 1-(3-cyclohexylpropyl)-3-ethylcyclohexane: A density functional theory study K.C. Bhamu ; Jin Suk Chung ; Sung Gu Kang 2022
4 Article Designing Pt-based subsurface alloy catalysts for the dehydrogenation of perhydro-dibenzyltoluene: A first-principles study Jingwen Zhou ; Jin Suk Chung ; Sung Gu Kang 2022
5 Article Direct observation of trapped charges at ReSe2 and graphene heterojunctions Trinh Thi Ly ; Yun-Jae Lee ; Byoung Ki Choi ; et al 2022
6 Article Enhancement of gas sensing by doping of transition metal in two-dimensional As2C3 nanosheet: A density functional theory investigation Vipin Kumar ; Jaehoon Jung 2022
7 Article Exploring two-dimensional carbides as highly active catalysts for the oxygen reduction reaction: A density functional theory approach Hengquan Guo ; Sung Gu Kang ; Seung Geol Lee 2022
8 Article Fine structure of the charge density wave in bulk VTe2 Ganbat Duvjir ; Jee-Ahn Jung ; Trinh Thi Ly ; et al 2022
9 Article First-principles evaluation of the potential of using Mg2SiO4, Mg2VO4, and Mg2GeO4 for CO2 capture 강성구 2020
10 Article First-principles prediction of NO2 and SO2 adsorption on MgO/(Mg0.5Ni0.5)O/MgO(100) 강성구 2021
11 Article First-principles-assisted band gap predictions of methylammonium metal formates 강성구 2021
12 Article Optoelectronics properties of Janus SnSSe monolayer for solar cells applications Marwan Alam ; Hafiza Sumaira Waheed ; Hamid Ullah ; et al 2022
13 Article Tuning the dehydrogenation performance of dibenzyl toluene as liquid organic hydrogen carriers 강성구 ; 허승현 ; 후인 옥 이엠 2021

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