https://scholars.lib.ntu.edu.tw/handle/123456789/482749
標題: | The dual-defective SnS2 monolayers: Promising 2D photocatalysts for overall water splitting | 作者: | Sainbileg, B. Lai, Y. R. LI-CHYONG CHEN MICHITOSHI HAYASHI |
公開日期: | 2019 | 卷: | 21 | 期: | 48 | 起(迄)頁: | 26292-26300 | 來源出版物: | Physical Chemistry Chemical Physics | 摘要: | Photocatalytic water splitting is a promising way to produce hydrogen fuel from solar energy. In this regard, the search for new photocatalytic materials that can efficiently split water into hydrogen is essential. Here, using first-principles simulations, we demonstrate that the dual-defective SnS2 (Ni-SnS2-VS), by both single-atom nickel doping and sulfur monovacancies, becomes a promising two-dimensional photocatalyst compared with SnS2. The Ni-SnS2-VS monolayer, in particular, exhibits a suitable band alignment that perfectly overcomes the redox potentials for overall water splitting. The dual-defective monolayer displays remarkable photocatalytic activity, a spatially separated carrier, a broadened optical absorption spectrum, and enhanced adsorption energy of H2O. Therefore, the dual-defective SnS2 monolayer can serve as an efficient photocatalyst for overall water splitting to produce hydrogen fuel. Furthermore, a novel dual-defect method can be an effective strategy to enhance the photocatalytic behavior of 2D materials; it may pave inroads in the development of solar-fuel generation. This journal is © the Owner Societies. |
URI: | https://scholars.lib.ntu.edu.tw/handle/123456789/482749 | DOI: | 10.1039/c9cp04649f | SDG/關鍵字: | Absorption spectroscopy; Defects; Hydrogen economy; Hydrogen fuels; Hydrogen production; IV-VI semiconductors; Light absorption; Monolayers; Nickel compounds; Photocatalytic activity; Redox reactions; Semiconducting tin compounds; Solar energy; Solar power generation; Band alignments; Enhanced adsorptions; First-principles simulations; Photocatalytic behaviors; Photocatalytic materials; Photocatalytic water splitting; Redox potentials; Water splitting; Tin compounds |
顯示於: | 凝態科學研究中心 |
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