Experimental investigation and theoretical exploration of single-atom electrocatalysis in hybrid photovoltaics: The powerful role of Pt atoms in triiodide reduction
文献类型：期刊论文
| 作者 | Hao, Ce1; Liang, Suxia1; Qiao, Botao2; Song, Xuedan1; Wang, Aiqin2; Zhang, Tao2; Shi, Yantao1 |
| 刊名 | NANO ENERGY
 |
| 出版日期 | 2017-09-01 |
| 卷号 | 39页码:1-8 |
| 关键词 | Single-atom electrocatalysis Photovoltaics Counter electrodes Density function theory |
| 英文摘要 | Although 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. |
| WOS标题词 | Science & Technology ; Physical Sciences ; Technology |
| 类目[WOS] | Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied |
| 研究领域[WOS] | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
| 关键词[WOS] | SENSITIZED SOLAR-CELLS ; GAS SHIFT REACTION ; TOTAL-ENERGY CALCULATIONS ; AUGMENTED-WAVE METHOD ; HETEROGENEOUS CATALYSIS ; ELECTRONIC-STRUCTURE ; ACTIVE-SITES ; FUEL-CELLS ; BASIS-SET ; LOW-COST |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000408878200001 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/149982]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.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 |
| 推荐引用方式 GB/T 7714 | Hao, Ce,Liang, Suxia,Qiao, Botao,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 | Hao, Ce.,Liang, Suxia.,Qiao, Botao.,Song, Xuedan.,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 | Hao, Ce,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. |
入库方式： OAI收割
来源：大连化学物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。