A strategy for enhancing the photoactivity of g-C3N4-based single-atom catalysts via sulphur doping: a theoretical study
文献类型：期刊论文
| 作者 | Guo, Yanqing; Xia, Meng; Zhang, Mingkun; Zou, Jing; You, Yue; Cheng, Wei; Dou, Junfeng |
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2021 |
| 卷号 | 23期号:11页码:6632-6640 |
| 英文摘要 | Single-atom catalysts (SACs) have received intense attention owing to their maximum utilization efficiency of metal atoms and high catalytic activity. Although SACs possess many merits, such as high activity, selectivity and stability in photocatalysis, the difficulty of fabricating atomically dispersed atom catalysts with a high level of metal loading limits their practical applications. Here, a sulphur-doping strategy was proposed to enhance the incorporation of single Pt atoms in monolayer graphitic carbon nitride (g-C3N4), and the structural, electronic and optical properties were investigated through density functional theory (DFT) calculations. This work verified that SACs based on sulphur-doped monolayer g-C3N4 (S-g-C3N4) exhibit a lower band gap energy, higher photocatalytic oxidation ability, easier charge separation, lower oxidation state of Pt atoms and wider light absorption range. This work provides a promising path for fabricating efficient g-C3N4-based photocatalytic SACs. |
| 源URL | [http://ir.nimte.ac.cn/handle/174433/22080]  |
| 专题 | 中国科学院宁波材料技术与工程研究所 2021专题_期刊论文 |
| 作者单位 | Dou, JF (corresponding author), Beijing Normal Univ, Coll Water Sci, Beijing 100875, Peoples R China. |
| 推荐引用方式 GB/T 7714 | Guo, Yanqing,Xia, Meng,Zhang, Mingkun,et al. A strategy for enhancing the photoactivity of g-C3N4-based single-atom catalysts via sulphur doping: a theoretical study[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2021,23(11):6632-6640. |
| APA | Guo, Yanqing.,Xia, Meng.,Zhang, Mingkun.,Zou, Jing.,You, Yue.,...&Dou, Junfeng.(2021).A strategy for enhancing the photoactivity of g-C3N4-based single-atom catalysts via sulphur doping: a theoretical study.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,23(11),6632-6640. |
| MLA | Guo, Yanqing,et al."A strategy for enhancing the photoactivity of g-C3N4-based single-atom catalysts via sulphur doping: a theoretical study".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23.11(2021):6632-6640. |
入库方式： OAI收割
来源：宁波材料技术与工程研究所
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