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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
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
Volume120Issue:42Pages:24265-24270
Abstract

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.

SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
DOI10.1021/acs.jpcc.6b08577
Indexed BySCI
Language英语
WOS KeywordSENSITIZED SOLAR-CELLS ; DENSITY-FUNCTIONAL THEORY ; TOTAL-ENERGY CALCULATIONS ; WAVE BASIS-SET ; COUNTER ELECTRODE ; HIERARCHICAL MICROSPHERES ; GRAPHENE ; NANOCOMPOSITES ; NANOPARTICLES ; SURFACES
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science
WOS SubjectChemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
Funding OrganizationNational Natural Science Foundation of China(51222212 ; Fundamental Research Funds for the Central Universities(2652015086) ; Spanish MINECO(ENE2013-46624-C4-3-R) ; 51572016)
WOS IDWOS:000386640800039
Citation statistics
Cited Times:7[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/21591
Collection湿法冶金清洁生产技术国家工程实验室
Affiliation1.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
Recommended Citation
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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