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Interplay of ligand and strain effects in CO adsorption on bimetallic Cu/M (M = Ni, Ir, Pd, and Pt) catalysts from first-principles: Effect of different facets on catalysis Jo DY, Lee MW, Kim CH, Choung JW, Ham HC, Lee KY Catalysis Today, 359, 57, 2021 |
2 |
Photocatalytic water splitting of (F, Ti) codoped heptazine/triazine based g-C3N4 heterostructure: A hybrid DFT study Zhao YL, Lin YM, Wang GS, Jiang ZY, Zhang RQ, Zhu CY Applied Surface Science, 463, 809, 2019 |
3 |
Catalytic activity of gamma-AlOOH (001) surface in syngas conversion: Probing into the mechanism of carbon chain growth Bai B, Bai H, Zhang L, Huang W Applied Surface Science, 455, 123, 2018 |
4 |
Silver cluster supported on nitrogen-doped graphene as an electrocatalyst with high activity and stability for oxygen reduction reaction Jalili S, Goliaei EM, Schofield J International Journal of Hydrogen Energy, 42(21), 14522, 2017 |
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First-principles understanding of durable titanium nitride (TiN) electrocatalyst supports Kwon JA, Kim MS, Shin DY, Kim JY, Lim DH Journal of Industrial and Engineering Chemistry, 49, 69, 2017 |
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O-2 adsorption on MO2 (M = Ru, Ir, Sn) films supported on rutile TiO2(110) by DFT calculations: Probing the nature of metal oxide-support interaction Xu XL, Sun XF, Sun BZ, Peng HG, Liu WM, Wang X Journal of Colloid and Interface Science, 473, 100, 2016 |
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First-Principles Study of Oxygen Evolution Reaction on the Oxygen-Containing Species Covered Co-II-Exposing Co3O4 (100) Surface Zhang PX, Dong Y, Kou YL, Yang ZY, Li YP, Sun XM Catalysis Letters, 145(5), 1169, 2015 |