beta-Arsenene Monolayer: A Promising Electrocatalyst for Anodic Chlorine Evolution Reaction
文献类型：期刊论文
| 作者 | Liu, Junxian2; Hinsch, Jack Jon2; Yin, Huajie1; Liu, Porun2; Zhao, Huijun2; Wang, Yun2
|
| 刊名 | CATALYSTS
 |
| 出版日期 | 2022-03-01 |
| 卷号 | 12 |
| 关键词 | 2D group-VA monolayers chlorine evolution reaction electrocatalysis selectivity |
| DOI | 10.3390/catal12030296 |
| 通讯作者 | Wang, Yun(yun.wang@griffith.edu.au) |
| 英文摘要 | Materials innovation plays an essential role to address the increasing demands of gaseous chlorine from anodic chlorine evolution reaction (CER) in chlor-alkali electrolysis. In this study, two-dimensional (2D) semiconducting group-VA monolayers were theoretically screened for the electrochemical CER by means of the density functional theory (DFT) method. Our results reveal the monolayered beta-arsenene has the ultralow thermodynamic overpotential of 0.068 V for CER, which is close to that of the commercial Ru/Ir-based dimensionally stable anode (DSA) of 0.08 V @ 10 mA cm(-2) and 0.13 V from experiments and theory, respectively. The change of CER pathways via Cl* intermediate on 2D beta-arsenene also efficiently suppresses the parasitical oxygen gas production because of a high theoretical oxygen evolution reaction (OER) overpotential of 1.95 V. Our findings may therefore expand the scope of the electrocatalysts design for CER by using emerging 2D materials. |
| WOS关键词 | OXYGEN EVOLUTION ; PLANE-WAVE ; COMPETING CHLORINE ; ANATASE TIO2 ; SELECTIVITY ; RUO2(110) ; SURFACE ; PERFORMANCE ; NANOSHEETS ; EFFICIENT |
| 资助项目 | Australian Commonwealth Government ; Pawsey Supercomputing Centre in Perth ; Australian government ; Government ofWestern Australia |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000775714700001 |
| 出版者 | MDPI |
| 资助机构 | Australian Commonwealth Government ; Pawsey Supercomputing Centre in Perth ; Australian government ; Government ofWestern Australia |
| 源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/128257]  |
| 专题 | 中国科学院合肥物质科学研究院 |
| 通讯作者 | Wang, Yun |
| 作者单位 | 1.Chinese Acad Sci, Inst Solid State Phys, Hefei 230031, Peoples R China 2.Griffith Univ, Ctr Catalysis & Clean Energy, Sch Environm & Sci, Gold Coast, Qld 4222, Australia |
| 推荐引用方式 GB/T 7714 | Liu, Junxian,Hinsch, Jack Jon,Yin, Huajie,et al. beta-Arsenene Monolayer: A Promising Electrocatalyst for Anodic Chlorine Evolution Reaction[J]. CATALYSTS,2022,12. |
| APA | Liu, Junxian,Hinsch, Jack Jon,Yin, Huajie,Liu, Porun,Zhao, Huijun,&Wang, Yun.(2022).beta-Arsenene Monolayer: A Promising Electrocatalyst for Anodic Chlorine Evolution Reaction.CATALYSTS,12. |
| MLA | Liu, Junxian,et al."beta-Arsenene Monolayer: A Promising Electrocatalyst for Anodic Chlorine Evolution Reaction".CATALYSTS 12(2022). |
入库方式： OAI收割
来源：合肥物质科学研究院
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