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Showing results 1 to 11 of 11

Ab initio molecular dynamics of liquid water using embedded-fragment second-order many-body perturbation theory towards its accurate property prediction File File

Willow, Soohaeng Yoo , Salim, Michael A. , Kim, Kwang S. , Hirata, So

Article Issue Date2015-09 View173
Characterization of surface and bulk nitrates of gamma-Al2O3-supported alkaline earth oxides using density functional theory File

Mei, Donghai , Ge, Qingfeng , Kwak, Jahun , Kim, Do Heui , Verrier, Christelle , Szanyi, Janos , Peden, Charles H. F.

Article Issue Date2009-02 View191
Circumventing the OCl versus OOH scaling relation in the chlorine evolution reaction: Beyond dimensionally stable anodes File

Exner, Kai S. , Lim, Taejung , Joo, Sang Hoon

Article Issue Date2022-08 View167
Computational understanding of Li-ion batteries File

Urban, Alexander , Seo, Dong-Hwa , Ceder, Gerbrand

Article Issue Date2016-20 View133
First-principles effective Hamiltonian for ferroelectric polarization in BaTiO3/SrTiO3 superlattices File

Lee, JunHee , Waghmare, Umesh V. , Yu, Jaejun

Article Issue Date2008-06 View118
From Ni-YSZ to sulfur-tolerant anode materials for SOFCs: electrochemical behavior, in situ characterization, modeling, and future perspectives File

Cheng, Zhe , Wang, Jeng-Han , Choi, YongMan , Yang, Lei , Lin, M. C. , Liu, Meilin

Article Issue Date2011-11 View197
Hydrogen production based on a photoactivated nanowire-forest File

Lee, Seyeong , Hanif, Zahid , Seo, Keumyoung , Lim, Taekyung , Shin, Hye-Min , Park, Sungjun , Kim, Su Hwan , Kwak, Sang Kyu , Hong, Sukwon , Yoon. Myung-Han , et al

Article Issue Date2016-10 View116
Lower Electric Field-Driven Magnetic Phase Transition and Perfect Spin Filtering in Graphene Nanoribbons by Edge Functionalization File

Rezapour, M. Reza , Yun, Jeonghun , Lee, Geunsik , Kim, Kwang S.

Article Issue Date2016-12 View116
Nitrogen doping of porous carbon-supported CuCl(I) for enhanced CO adsorption File

Oh, Sangyeop , Lee, Ji Eun , Kim, Hyunwook , Park, Jun Woo , Lee, Kyung Min , Kwak, Sang Kyu , Lee, Ki Bong

Article Issue Date2025-05 View106
Size-Dependent Chemomechanical Failure of Sulfide Solid Electrolyte Particles during Electrochemical Reaction with Lithium File

Zhao, Jun , Zhao, Chao , Zhu, Jianping , Liu, Xiangsi , Yao, Jingming , Wang, Bo , Dai, Qiushi , Wang, Zaifa , Chen, Jingzhao , Jia, Peng , et al

Article Issue Date2022-01 View169
Ultra-stable small diameter hybrid transition metal dichalcogenide nanotubes X-M-Y (X, Y = S, Se, Te; M = Mo, W, Nb, Ta): a computational study File

Zhao, Wen , Li, Yuanchang , Duan, Wenhui , Ding, Feng

Article Issue Date2015-08 View68
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