화학공학소재연구정보센터
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No. Article
1 Computational Study of Transition-Metal Substitutions in Rutile TiO2 (110) for Photoelectrocatalytic Ammonia Synthesis
Comer BM, Lenk MH, Rajanala AP, Flynn EL, Medford AJ
Catalysis Letters, 151(4), 1142, 2021
2 Hybrid Functional Study of H-Abstraction from Methane by Li-Doped, Pristine and Stepped MgO(100) and MgO(110) Surfaces
Ishikawa A, Tateyama Y
Catalysis Letters, 151(3), 627, 2021
3 Structures and properties of Pd nanoparticles intercalated in layered TiO2: A computational study
Tosoni S, Di Liberto G, Pacchioni G
Catalysis Today, 382, 96, 2021
4 The electronic, adsorption, and catalytic properties of Bi-, Sb-, and As-nanoclusters
Abdelsalam H, Teleb NH, Wang BL, Yunoki S, Zhang QF
Catalysis Today, 376, 126, 2021
5 Further discussion on the mechanism of hydrogen transfer in direct coal liquefaction
Wang XB, Fan HH, Xie ZZ, Li WY
Catalysis Today, 374, 185, 2021
6 Effect of surface structure and Pd doping of Fe catalysts on the selective hydrodeoxygenation of phenol
Nie XW, Zhang ZS, Wang HZ, Guo XW, Song CS
Catalysis Today, 371, 189, 2021
7 Stabilizing Co, Ni and Cu on the h-BN surface: Using O-O bond activation to probe their performance as single atom catalyst
Datta J, Majumder C
Catalysis Today, 370, 75, 2021
8 Effects of surface functionalization of mxene-based nanocatalysts on hydrogen evolution reaction performance
Zhang SJ, Zhuo H, Li SQ, Bao ZK, Deng SW, Zhuang GL, Zhong X, Wei ZZ, Yao ZH, Wang JG
Catalysis Today, 368, 187, 2021
9 Tailoring catalytic properties of V2O3 to propane dehydrogenation through single-atom doping: A DFT study
Zhang J, Zhou RJ, Chang QY, Sui ZJ, Zhou XG, Chen D, Zhu YA
Catalysis Today, 368, 46, 2021
10 A DFT study of methane conversion on Mo-terminated Mo2C carbides: Carburization vs C?C coupling
Zhang TY, Yang XF, Ge QF
Catalysis Today, 368, 140, 2021