期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 117, 期 3, 页码 1350-1357出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp3090952
关键词
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资金
- Special Academic Partner GCR Program from King Abdullah University of Science and Technology
- NSFC [21103015, 11174045]
- Chinese Scholarship Council [2009606533]
- Fundamental Research Funds for the Central Universities [DUT11LK19, DUT12LK14]
- Key Laboratory of Coastal Zone Environmental Processes YICCAS [201203]
We studied the electronic structure of MPd12 (M = Fe, Co, Ni, Cu, Zn, Pd) nanoparticles deposited on graphene substrates and their reactivity toward O adsorption, which are directly related to the catalytic performance of these composites in oxygen reduction reaction, by first-principles-based calculations. We found that the alloying between M and Pd can enhance the stability of nanoparticles and promote their oxygen reduction activity to be comparable with that of Pt(111). The defective graphene substrate can provide anchoring sites for these nanoparticles by forming strong metal-substrate interaction. The interfacial interaction can contribute to additional stability and further tune the averaged d-band center of the deposited alloy nanoparticles, resulting in strong interference on the O adsorption. As the O adsorption on these composites is weakened, the oxygen reduction reaction kinetics over these composites will also be promoted. These composites are thus expected to exhibit both high stability and superior catalytic performance in oxygen reduction reaction.
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