화학공학소재연구정보센터

Catalysis Today

Catalysis Today, Vol.165, No.1 Entire volume, number list
ISSN: 0920-5861 (Print) 

In this Issue (22 articles)

1 - 1 Special Issue Preface
Ge QF, Wang JG, Li J
2 - 9 The role of transition metal interfaces on the electronic transport in lithium-air batteries
Chen JZ, Hummelshoj JS, Thygesen KS, Myrdal JSG, Norskov JK, Vegge T
10 - 18 Adsorption and activation of CO2 over the Cu-Co catalyst supported on partially hydroxylated gamma-Al2O3
Yin SX, Swift T, Ge QF
19 - 24 A density functional theory study of small Au nanoparticles at CeO2 surfaces
Zhu WJ, Zhang J, Gong XQ, Lu GZ
25 - 31 Does confinement effect always enhance catalytic activity? A theoretical study of H-2 dissociation on CNT supported gold clusters
Li Z, Chen ZX, Kang GJ, He X
32 - 40 Dissociation of methanol on hydroxylated TiO2-B (1 0 0) surface: Insights from first principle DFT calculation
Liu WJ, Wang JG, Guo XJ, Fang W, Wei MJ, Lu XH, Lu LH
41 - 48 Reactivity of hydrogen and methanol on (0 0 1) surfaces of WO3, ReO3, WO3/ReO3 and ReO3/WO3
Ling SL, Mei DH, Gutowski M
49 - 55 Adsorption and reactions of NOx on RuO2(1 1 0)
Wang HY, Schneider WF
56 - 63 Effects of heat and mass transfer on the kinetics of CO oxidation over RuO2(1 1 0) catalyst
Mei DH, Lin G
64 - 70 Understanding of ethanol decomposition on Rh(1 1 1) from density functional theory and kinetic Monte Carlo simulations
Choi YM, Liu P
71 - 79 An understanding of chemoselective hydrogenation on crotonaldehyde over Pt(111) in the free energy landscape: The microkinetics study based on first-principles calculations
Cao XM, Burch R, Hardacre C, Hu P
80 - 88 Density functional theory investigations on the catalytic mechanisms of hydrazine decompositions on Ir(1 1 1)
Zhang PX, Wang YG, Huang YQ, Zhang T, Wu GS, Li J
89 - 95 Structure evolution of Pt-3d transition metal alloys under reductive and oxidizing conditions and effect on the CO oxidation: a first-principles study
Su HY, Gu XK, Ma XF, Zhao YH, Bao XH, Li WX
96 - 105 Effect of Pd surface structure on the activation of methyl acetate
Xu LJ, Xu Y
106 - 111 Density functional theory study of the effect of subsurface H, C, and Ag on C2H2 hydrogenation on Pd(1 1 1)
Tiruppathi P, Low JJ, Chan ASY, Bare SR, Meyer RJ
112 - 119 Theoretical studies of Na+ location in ZSM-5: Model selection for accurate coordination structure and energetics
Chu ZK, Fu G, Xu X
120 - 128 Reaction mechanism of tert-butylation of phenol with tert-butyl alcohol over H-beta zeolite: An ONIOM study
Nie XW, Janik MJ, Guo XW, Liu X, Song CS
129 - 137 Challenges in the first-principles description of reactions in electrocatalysis
Schnur S, Gross A
138 - 144 Pd ensemble effects on oxygen hydrogenation in AuPd alloys: A combined density functional theory and Monte Carlo study
Ham HC, Stephens JA, Hwang GS, Han J, Nam SW, Lim TH
145 - 149 Water splitting on TiO2 nanotube arrays
Meng QQ, Wang JG, Xie Q, Dong HQ, Li XN
150 - 159 Spontaneous reduction of O-2 on PtVFe nanocatalysts
Wang LC, Williams JI, Lin T, Zhong CJ
160 - 170 Electrocatalyst design from first principles: A hydrogen-production catalyst inspired by nature
Zipoli F, Car R, Cohen MH, Selloni A