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