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题名: Theoretical and Experimental Studies on the Relationship between the Structures of Molybdenum Nitrides and Their Catalytic Activities toward the Oxygen Reduction Reaction
作者: Qi, Jing1, 2;  Jiang, Luhua1;  Jiang, Qian1, 2;  Wang, Suli1;  Sun, Gongquan1
刊名: JOURNAL OF PHYSICAL CHEMISTRY C
发表日期: 2010-10-28
DOI: 10.1021/jp102284s
卷: 114, 期:42, 页:18159-18166
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Physical ;  Nanoscience & Nanotechnology ;  Materials Science, Multidisciplinary
研究领域[WOS]: Chemistry ;  Science & Technology - Other Topics ;  Materials Science
英文摘要: Two carbon-supported molybdenum nitrides, MoN/C and Mo(2)N/C, were prepared by varying the experimental conditions in NH(3) atmosphere. The physical properties of the catalysts were characterized by X-ray diffraction, transmission electron microscopy, energy-dispersive X-ray spectroscopy, and X-ray photoelectron spectroscopy. The catalytic activities of the catalysts toward the oxygen reduction reaction (ORR) and the methanol oxidation reaction (MOR) were characterized by potentiodynamic measurements. The results show that the MoN/C exhibits higher catalytic activity toward the ORR than the Mo(2)N/C. Both catalysts are inert to methanol. The results from the density functional theory calculation indicate that both the MoN and the Mo(2)N facilitate dissociation of oxygen molecules. The suitable geometric structure of the MoN and the preferred oxygen adsorption type on it contribute to the higher activity of the MoN/C toward the ORR. The calculation results agree well with the results from the experiments.
关键词[WOS]: EFFECTIVE CORE POTENTIALS ;  FUEL-CELLS ;  MOLECULAR CALCULATIONS ;  MON ;  ELECTROCATALYST ;  PHTHALOCYANINE ;  TEMPERATURE
语种: 英语
WOS记录号: WOS:000283110700022
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142273
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, Direct Alcohol Fuel Cell Lab, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China

Recommended Citation:
Qi, Jing,Jiang, Luhua,Jiang, Qian,et al. Theoretical and Experimental Studies on the Relationship between the Structures of Molybdenum Nitrides and Their Catalytic Activities toward the Oxygen Reduction Reaction[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2010,114(42):18159-18166.
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