Regulation of Internal Electric Field via d Orbital Occupancy for Efficient CO2 Photoreduction
文献类型：期刊论文
| 作者 | Hou, Xiangyan1; Shi, Jingyu1; Jiang, Mengpei3; Wu, Xiaofeng1; Liang, Na1; Shao, Zhiyu4; Zhu, Qian1; Zeng, Jianrong5,6; Cong, Yingge2; Huang, Keke1 |
| 刊名 | ADVANCED FUNCTIONAL MATERIALS
 |
| 出版日期 | 2025-03-16 |
| 页码 | 9 |
| 关键词 | charge transfer CO2 photoreduction ferroelectric polarization KNbO3 orbital regulation |
| ISSN号 | 1616-301X |
| DOI | 10.1002/adfm.202502686 |
| 通讯作者 | Zeng, Jianrong(zengjr@sari.ac.cn) ; Cong, Yingge(congyg@sibet.ac.cn) ; Huang, Keke(kkhuang@jlu.edu.cn) |
| 英文摘要 | Developing highly efficient CO2 photocatalysts is meaningful; however, the ultrafast recombination of photogenerated electrons and holes severely hinders the photocatalytic reaction. Herein, the internal electric field of ferroelectric KNbO3 is further enhanced by optimizing Nb 4d t(2)(g) orbital occupancy states through Nb-O-Fe charge transport channels regulated by different doped amounts of Fe as an electron donor, which further improves the separation efficiency of photogenerated electrons and holes. The optimal occupancy state of the Nb 4d t(2)(g) orbital effectively modulates its bonding interactions with neighboring oxygen atoms, achieving the maximum directional displacement of Nb along the [110] polarization axis of the NbO6 octahedron at the optimized t(2)(g) orbital occupancy, as evidenced by atomic pair distribution function (PDF) analysis and Raman spectroscopy. The photocatalytic performance revealed that KNbO3 with the strongest built-in electric field exhibited the highest CO yield (15.7 mu mol g(-)(1)h(-)(1)) and selectivity (92.3%). This work paves the way for tuning ferroelectric polarization via orbital regulation and lays a foundation for the rational design of energy-catalytic ferroelectric structures. |
| 资助项目 | National Natural Science Foundation of China ; National Key R&D Program of China[2021YFF0500502] ; National Key R&D Program of China[2023YFA1506304] ; Jilin Province Science and Technology Development Plan[20230101024JC] ; Jilin Province Science and Technology Development Plan[2021JGZ08] ; Jilin Province Science and Technology Development Plan[2022YJSJIP20] ; [22090044] ; [22171102] ; [22201298] |
| WOS研究方向 | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:001446127100001 |
| 出版者 | WILEY-V C H VERLAG GMBH |
| 资助机构 | National Natural Science Foundation of China ; National Key R&D Program of China ; Jilin Province Science and Technology Development Plan |
| 源URL |  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Zeng, Jianrong; Cong, Yingge; Huang, Keke |
| 作者单位 | 1.Jilin Univ, Coll Chem, State Key Lab Inorgan Synth & Preparat Chem, Changchun 130012, Peoples R China 2.Chinese Acad Sci, Suzhou Inst Biomed Engn & Technol, Dept Biomat & Stem Cells, Suzhou 215163, Peoples R China 3.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 4.Jilin Univ, China Japan Union Hosp, Changchun 130061, Peoples R China 5.Chinese Acad Sci, Shanghai Adv Res Inst, Shanghai Synchrotron Radiat Facil, Shanghai 201204, Peoples R China 6.Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China |
| 推荐引用方式 GB/T 7714 | Hou, Xiangyan,Shi, Jingyu,Jiang, Mengpei,et al. Regulation of Internal Electric Field via d Orbital Occupancy for Efficient CO2 Photoreduction[J]. ADVANCED FUNCTIONAL MATERIALS,2025:9. |
| APA | Hou, Xiangyan.,Shi, Jingyu.,Jiang, Mengpei.,Wu, Xiaofeng.,Liang, Na.,...&Huang, Keke.(2025).Regulation of Internal Electric Field via d Orbital Occupancy for Efficient CO2 Photoreduction.ADVANCED FUNCTIONAL MATERIALS,9. |
| MLA | Hou, Xiangyan,et al."Regulation of Internal Electric Field via d Orbital Occupancy for Efficient CO2 Photoreduction".ADVANCED FUNCTIONAL MATERIALS (2025):9. |
入库方式： OAI收割
来源：金属研究所
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