DICP OpenIR
Experimental investigation and theoretical exploration of single-atom electrocatalysis in hybrid photovoltaics: The powerful role of Pt atoms in triiodide reduction
Liang, Suxia1; Qiao, Botao2; Song, Xuedan1; Hao, Ce1; Wang, Aiqin2; Zhang, Tao2; Shi, Yantao1
KeywordSingle-atom Electrocatalysis Photovoltaics Counter Electrodes Density Function Theory
Source PublicationNANO ENERGY
2017-09-01
DOI10.1016/j.nanoen.2017.06.036
Volume39Pages:1-8
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
WOS SubjectChemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS KeywordSENSITIZED SOLAR-CELLS ; GAS SHIFT REACTION ; TOTAL-ENERGY CALCULATIONS ; AUGMENTED-WAVE METHOD ; HETEROGENEOUS CATALYSIS ; ELECTRONIC-STRUCTURE ; ACTIVE-SITES ; FUEL-CELLS ; BASIS-SET ; LOW-COST
AbstractAlthough single-atom catalysts (SACs) that bridge homogeneous and heterogeneous catalysis exhibit excellent performance in various reactions, only a few examples have reported the use of SACs in electrocatalysis, especially in new types of photovoltaics. This work focused on the association between SAC Pt-1/FeOx and the electrocatalysis in hybrid photovoltaics, with the role of single-Pt atom in facilitating triiodide (I-3(-)) catalytic reduction and enhancing the conversion efficiency of dye-sensitized solar cells. Even with an extremely low dispersion density of one Pt atom per 100 nm(2) (the atomic ratio between Pt and Fe is 1: 12214), the conversion efficiency could be enhanced by 69.3% compared to bare FeOx. DFT calculation indicated that ionization potential (IP), which was responsible for the rate-determining step, decreased with the anchor of single-Pt atoms on an oxygen-terminated Fe2O3(001) slab, thereby the electron-donating ability of catalysts was enhanced. The interaction between I- and O-3(-) terminated Pt-1/Fe2O3(001) showed that charge transfer occurred mainly between I and Pt atoms. Single atom Pt played a powerful role in triiodide (I-3(-)) catalytic reduction, since its 5d orbital interacted with the support Fe2O3, accompanied with much more concentrated electronic states and higher density of the occupied states of Pt-1/Fe2O3(001) around the Fermi energy.
Language英语
WOS IDWOS:000408878200001
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/149982
Collection中国科学院大连化学物理研究所
Affiliation1.Dalian Univ Technol, Sch Chem, State Key Lab Fine Chem, Dalian 116024, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
Liang, Suxia,Qiao, Botao,Song, Xuedan,et al. Experimental investigation and theoretical exploration of single-atom electrocatalysis in hybrid photovoltaics: The powerful role of Pt atoms in triiodide reduction[J]. NANO ENERGY,2017,39:1-8.
APA Liang, Suxia.,Qiao, Botao.,Song, Xuedan.,Hao, Ce.,Wang, Aiqin.,...&Shi, Yantao.(2017).Experimental investigation and theoretical exploration of single-atom electrocatalysis in hybrid photovoltaics: The powerful role of Pt atoms in triiodide reduction.NANO ENERGY,39,1-8.
MLA Liang, Suxia,et al."Experimental investigation and theoretical exploration of single-atom electrocatalysis in hybrid photovoltaics: The powerful role of Pt atoms in triiodide reduction".NANO ENERGY 39(2017):1-8.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Liang, Suxia]'s Articles
[Qiao, Botao]'s Articles
[Song, Xuedan]'s Articles
Baidu academic
Similar articles in Baidu academic
[Liang, Suxia]'s Articles
[Qiao, Botao]'s Articles
[Song, Xuedan]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Liang, Suxia]'s Articles
[Qiao, Botao]'s Articles
[Song, Xuedan]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.