화학공학소재연구정보센터
검색결과 : 14건
No. Article
1 Deep learning-based initial guess for minimum energy path calculations
Park HS, Lee SW, Kim JH
Korean Journal of Chemical Engineering, 38(2), 406, 2021
2 DFT study of boron doped MgH2: Bonding mechanism, hydrogen diffusion and desorption
Kurko S, Mamula BP, Rmus J, Novakovic JG, Novakovic N
International Journal of Hydrogen Energy, 45(14), 7947, 2020
3 DFT study of the dimethyl sulfoxide reduction on silicene
Garcia-Diaz R, Guerrero-Sanchez J, Fernandez-Escamilla HN, Takeuchi N
Applied Surface Science, 467, 261, 2019
4 DFT study for OH radical formation on SrTiO3(001) surface and the effect of Bi
Garcia-Diaz R, de la Cruz MTR, Valiente RO, Guerrero-Sanchez J, Cocoletzi GH
Applied Surface Science, 487, 1394, 2019
5 Crystal preferred orientation of Li2MnO3 center dot LiMO2 (M = Mn, Co, Ni) nano-particals: Relevance to electrochemical behavior for lithium battery cathode materials
Zhang Y, Song Q, Wang TL, Zhao QF, Zhang RL, Zhao JS
Journal of Power Sources, 413, 425, 2019
6 The impact of surface composition on Tafel kinetics leading to enhanced electrochemical insertion of hydrogen in palladium
Dmitriyeva O, Hamm SC, Knies DL, Cantwell R, McConnell M
Applied Surface Science, 440, 224, 2018
7 Mn substitution controlled Li-diffusion in single crystalline nanotubular LiFePO4 high rate-capability cathodes: Experimental and theoretical studies
Budumuru AK, Viji M, Jena A, Nanda BRK, Sudakar C
Journal of Power Sources, 406, 50, 2018
8 Adsorption and dissociation of H2S on Rh(100) surface by First-principle study
Usman T, Luo HJ, Zhang Y, Tao XM, Tan MQ
Applied Surface Science, 425, 367, 2017
9 Calculated structural and electronic interactions of the nano dye molecule Ru(4, 4 ' - COOH-2, 2 ' - bpy)(2)(NCS)(2)(N3) with a iodide/triiodide redox shuttle
Shomali E, Sarsari IA, Hashemifar SJ, Alaei M
Current Applied Physics, 17(8), 1029, 2017
10 Bond length effects during the dissociation of O-2 on Ni(111)
Shuttleworth IG
Applied Surface Science, 346, 329, 2015