Cu2ZnSnS4 Nanocrystals as Highly Active and Stable Electrocatalysts for the Oxygen Reduction Reaction
Yu, Xuelian1; Wang, Da2; Liu, Jingling3; Luo, Zhishan4; Du, Ruifeng1; Liu, Li-Min2; Zhang, Guangjin3; Zhang, Yihe1; Cabot, Andreu4,5
2016-10-27
发表期刊JOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
卷号120期号:42页码:24265-24270
摘要

The implementation of cost-effective fuel cells and metal-air batteries requires developing an environmentally friendly, cost-effective, and high performance electrocatalyst for the oxygen reduction reaction (ORR). While several oxides have been proposed as electrocatalysts for the ORR in basic conditions, some sulfides, particularly copper sulfide, have been shown to provide some of the highest electrical conductivities and overall improved electrocatalytic properties. We use here first-principles calculations to study the oxygen adsorption and ORR kinetics on alternative copper-based sulfides and find out that the inclusion of cations with a higher oxidation state, such as Zn2+ and Sn4+, provides more energetically favorable sites for oxygen adsorption and subsequent formation of hydroxyls. DFT calculations show all species in the OOH* dissociation pathway to preferentially adsorb on Sn4+ and Zn2+ sites, providing low energy barriers of the rate-determining step. Supported by these calculations, we synthesized Cu2ZnSnS4 (CZTS) nanocrystals (NCs) with a controlled crystallographic phase by high-yield colloidal synthesis routes and investigated their electrocatalytic properties toward ORR in alkaline solution. Kesterite CZTS NCs show exceptional electrocatalytic performance for ORR with high current densities (5.45 mA cm(-2) at 0.1 V vs RHE) and low onset reduction potential (0.89 V vs RHE), comparable to commercial Pt/C electrocatalysts. Equally important, CZTS NCs exhibit superior stability and resistance to methanol, thus avoiding the poisoning limitation of commercial Pt/C catalysts in the particular case of direct methanol fuel cells.

文章类型Article
WOS标题词Science & Technology ; Physical Sciences ; Technology
DOI10.1021/acs.jpcc.6b08577
收录类别SCI
语种英语
关键词[WOS]SENSITIZED SOLAR-CELLS ; DENSITY-FUNCTIONAL THEORY ; TOTAL-ENERGY CALCULATIONS ; WAVE BASIS-SET ; COUNTER ELECTRODE ; HIERARCHICAL MICROSPHERES ; GRAPHENE ; NANOCOMPOSITES ; NANOPARTICLES ; SURFACES
WOS研究方向Chemistry ; Science & Technology - Other Topics ; Materials Science
WOS类目Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
项目资助者National Natural Science Foundation of China(51222212 ; Fundamental Research Funds for the Central Universities(2652015086) ; Spanish MINECO(ENE2013-46624-C4-3-R) ; 51572016)
WOS记录号WOS:000386640800039
引用统计
被引频次:4[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ipe.ac.cn/handle/122111/21591
专题湿法冶金清洁生产技术国家工程实验室
作者单位1.China Univ Geosci, Beijing Key Lab Mat Utilizat Nonmetall Minerals &, Natl Lab Mineral Mat, Sch Mat Sci & Technol, Beijing 100083, Peoples R China
2.Beijing Computat Sci Res Ctr, Beijing 100193, Peoples R China
3.Chinese Acad Sci, Key Lab Green Proc & Engn, Beijing 100190, Peoples R China
4.IREC, Barcelona 08930, Spain
5.ICREA, Pg Lluis Co 23, Barcelona 08010, Spain
推荐引用方式
GB/T 7714
Yu, Xuelian,Wang, Da,Liu, Jingling,et al. Cu2ZnSnS4 Nanocrystals as Highly Active and Stable Electrocatalysts for the Oxygen Reduction Reaction[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2016,120(42):24265-24270.
APA Yu, Xuelian.,Wang, Da.,Liu, Jingling.,Luo, Zhishan.,Du, Ruifeng.,...&Cabot, Andreu.(2016).Cu2ZnSnS4 Nanocrystals as Highly Active and Stable Electrocatalysts for the Oxygen Reduction Reaction.JOURNAL OF PHYSICAL CHEMISTRY C,120(42),24265-24270.
MLA Yu, Xuelian,et al."Cu2ZnSnS4 Nanocrystals as Highly Active and Stable Electrocatalysts for the Oxygen Reduction Reaction".JOURNAL OF PHYSICAL CHEMISTRY C 120.42(2016):24265-24270.
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