TY - JOUR
T1 - Theoretical study of support effect of Au catalyst for glucose oxidation of alkaline fuel cell anode
AU - Ishimoto, Takayoshi
AU - Hamatake, Yumi
AU - Kazuno, Hiroki
AU - Kishida, Takayuki
AU - Koyama, Michihisa
N1 - Publisher Copyright:
© 2014 Elsevier B.V. All rights reserved.
Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2015/1/1
Y1 - 2015/1/1
N2 - We theoretically analyzed the glucose oxidation reaction mechanism and reaction activity of Au catalyst supported by carbon (graphite(0 0 0 1), (1 0 1¯ 0), and (1 1 2¯ 0)) and oxide (ZrO2(1 1 1) and SnO2(1 1 0)) in alkaline solution environment by using density functional theory method. We observed large stabilization of Au catalyst on support materials due to the electron transfer in the case of graphite(1 1 2¯ 0) and SnO2(1 1 0) systems. The catalytic activity for glucose oxidation reaction over Au supported by graphite(1 0 1¯ 0) and (1 1 2¯ 0) is calculated to be low in comparison with those of unsupported system. We found that SnO2(1 1 0) supported Au catalyst shows high activity toward the glucose oxidation. One of the main factors for the observed high catalytic activity is charge transfer from Au catalyst to support materials. When the atomic charge of Au catalyst becomes positive by the support effect, the activity of glucose oxidation reaction on Au catalyst is improved.
AB - We theoretically analyzed the glucose oxidation reaction mechanism and reaction activity of Au catalyst supported by carbon (graphite(0 0 0 1), (1 0 1¯ 0), and (1 1 2¯ 0)) and oxide (ZrO2(1 1 1) and SnO2(1 1 0)) in alkaline solution environment by using density functional theory method. We observed large stabilization of Au catalyst on support materials due to the electron transfer in the case of graphite(1 1 2¯ 0) and SnO2(1 1 0) systems. The catalytic activity for glucose oxidation reaction over Au supported by graphite(1 0 1¯ 0) and (1 1 2¯ 0) is calculated to be low in comparison with those of unsupported system. We found that SnO2(1 1 0) supported Au catalyst shows high activity toward the glucose oxidation. One of the main factors for the observed high catalytic activity is charge transfer from Au catalyst to support materials. When the atomic charge of Au catalyst becomes positive by the support effect, the activity of glucose oxidation reaction on Au catalyst is improved.
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U2 - 10.1016/j.apsusc.2014.10.125
DO - 10.1016/j.apsusc.2014.10.125
M3 - Article
AN - SCOPUS:84920672200
VL - 324
SP - 76
EP - 81
JO - Applied Surface Science
JF - Applied Surface Science
SN - 0169-4332
ER -