孟长功

个人信息Personal Information

教授

博士生导师

硕士生导师

性别:男

毕业院校:中科院金属所

学位:博士

所在单位:化工学院

学科:无机化学

办公地点:大连理工大学化学楼401

联系方式:13940825088

电子邮箱:cgmeng@dlut.edu.cn

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Defective Graphene Supported MPd12 (M = Fe, Co, Ni, Cu, Zn, Pd) Nanoparticles as Potential Oxygen Reduction Electrocatalysts: A First-Principles Study

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论文类型:期刊论文

发表时间:2013-01-24

发表刊物:JOURNAL OF PHYSICAL CHEMISTRY C

收录刊物:SCIE、EI、Scopus

卷号:117

期号:3

页面范围:1350-1357

ISSN号:1932-7447

摘要: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.