Hydrogen production of overall water splitting with direct Z-scheme driven by antimonene and arsenide nanoribbon heterostructures: Insight from electronic properties and carrier nonadiabatic dynamics
文献类型：期刊论文
| 作者 | Liu, Miao3; Yang, Chuan-Lu1,2; Li, Yongqing3; Wang, Mei-Shan1; Ma, Xiao-Guang1 |
| 刊名 | JOURNAL OF POWER SOURCES
 |
| 出版日期 | 2024-02-28 |
| 卷号 | 594页码:234045 |
| 关键词 | Interlayer transfer Z-scheme Nanoribbon heterostructures Photocatalytic water splitting Nonadiabatic dynamics |
| ISSN号 | 0378-7753 |
| DOI | 10.1016/j.jpowsour.2023.234045 |
| 产权排序 | 3 |
| 英文摘要 | Two nanoribbon heterostructures are suitable for driving efficient direct Z -schemes of the photocatalytic overall water splitting for hydrogen production and are screened out of nine heterostructures constructed from edgepassivated antimonene (SbNR-X) and arsenide (AsNR-X, X = F, Cl, CN) nanoribbons. The solar -to -hydrogen (STH) efficiency and the Gibbs free energies (Delta Gs) of the redox reactions at different sites are calculated to identify the preferable Z -schemes. Meanwhile, the transfer and recombination of the photogenerated carriers are explored by using nonadiabatic molecular dynamics (NAMD) simulations. The obtained band alignments and built-in electric fields of the two considered heterostructures can match the requirements of the photocatalytic Zscheme, and the corresponding STH efficiencies can reach 15.04 % and 30.53 %, respectively. The oxidation evolution reactions can proceed spontaneously, and hydrogen evolution reactions are feasible in thermodynamics. NAMD simulations show that the SbNR-CN/AsNR-CN nanoribbon heterostructure has faster interlayer recombination but slower transfer of the photogenerated electron from the SbNR-CN to AsNR-CN nanoribbons and of the photogenerated hole along the reversible direction, indicating that this heterostructure has a higher carrier utilization rate. These findings confirm that the SbNR-CN/AsNR-CN nanoribbon heterostructure is a promising candidate for developing high STH efficiency materials with direct Z -schemes. |
| WOS关键词 | MOLECULAR-DYNAMICS ; PYXAID PROGRAM ; PHOTOCATALYST ; EVOLUTION |
| 资助项目 | National Neutral Science Foundation of China[12374232] |
| WOS研究方向 | Chemistry ; Electrochemistry ; Energy & Fuels ; Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:001153682200001 |
| 出版者 | ELSEVIER |
| 资助机构 | National Neutral Science Foundation of China |
| 源URL | [http://ir.xao.ac.cn/handle/45760611-7/5775]  |
| 专题 | 研究单元未命名 |
| 通讯作者 | Yang, Chuan-Lu; Li, Yongqing |
| 作者单位 | 1.Ludong Univ, Sch Phys & Optoelect Engn, Yantai 264025, Peoples R China 2.Chinese Acad Sci, Xinjiang Astron Observ, Urumqi 830011, Peoples R China 3.Liaoning Univ, Sch Phys, Shenyang 110036, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Miao,Yang, Chuan-Lu,Li, Yongqing,et al. Hydrogen production of overall water splitting with direct Z-scheme driven by antimonene and arsenide nanoribbon heterostructures: Insight from electronic properties and carrier nonadiabatic dynamics[J]. JOURNAL OF POWER SOURCES,2024,594:234045. |
| APA | Liu, Miao,Yang, Chuan-Lu,Li, Yongqing,Wang, Mei-Shan,&Ma, Xiao-Guang.(2024).Hydrogen production of overall water splitting with direct Z-scheme driven by antimonene and arsenide nanoribbon heterostructures: Insight from electronic properties and carrier nonadiabatic dynamics.JOURNAL OF POWER SOURCES,594,234045. |
| MLA | Liu, Miao,et al."Hydrogen production of overall water splitting with direct Z-scheme driven by antimonene and arsenide nanoribbon heterostructures: Insight from electronic properties and carrier nonadiabatic dynamics".JOURNAL OF POWER SOURCES 594(2024):234045. |
入库方式： OAI收割
来源：新疆天文台
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