KMS of Xinjiang Astronomical Observatory, CAS
| 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 | |
| Liu, Miao1; Yang, Chuan-Lu2,3; Li, Yongqing1; Wang, Mei-Shan2; Ma, Xiao-Guang2 | |
| 2024-02-28 | |
| Source Publication | JOURNAL OF POWER SOURCES
 |
| ISSN | 0378-7753 |
| Volume | 594Pages:234045 |
| Contribution Rank | 3 |
| Abstract | 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. |
| Keyword | Interlayer transfer Z-scheme Nanoribbon heterostructures Photocatalytic water splitting Nonadiabatic dynamics |
| DOI | 10.1016/j.jpowsour.2023.234045 |
| Indexed By | SCI |
| Language | 英语 |
| WOS Keyword | MOLECULAR-DYNAMICS ; PYXAID PROGRAM ; PHOTOCATALYST ; EVOLUTION |
| Funding Project | National Neutral Science Foundation of China[12374232] |
| WOS Research Area | Chemistry ; Electrochemistry ; Energy & Fuels ; Materials Science |
| WOS Subject | Chemistry, Physical ; Electrochemistry ; Energy & Fuels ; Materials Science, Multidisciplinary |
| WOS ID | WOS:001153682200001 |
| Publisher | ELSEVIER |
| Funding Organization | National Neutral Science Foundation of China |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.xao.ac.cn/handle/45760611-7/5776 |
| Collection | 中国科学院新疆天文台 |
| Corresponding Author | Yang, Chuan-Lu; Li, Yongqing |
| Affiliation | 1.Liaoning Univ, Sch Phys, Shenyang 110036, Peoples R China 2.Ludong Univ, Sch Phys & Optoelect Engn, Yantai 264025, Peoples R China 3.Chinese Acad Sci, Xinjiang Astron Observ, Urumqi 830011, Peoples R China |
| Corresponding Author Affilication | Xinjiang Astronomical Observatory, Chinese Academy of Sciences |
| Recommended Citation 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. |
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| Liu-2024-Hydrogen pr（7372KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Application Full Text | |
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