Simulation and experimental studies of the dissolution corrosion of 4H-SiC in liquid Pb/Bi
文献类型：期刊论文
| 作者 | Lei, Yawei4; Zhang, Yange4; Li, Xiangyan4 ; Xu, Yichun3,4; Wu, Xuebang3,4; Sun, Meng4; Li, Bingsheng2; Liu, Changsong3,4; Wang, Zhiguang1
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| 刊名 | APPLIED SURFACE SCIENCE
 |
| 出版日期 | 2022-05-30 |
| 卷号 | 585 |
| 关键词 | Silicon carbide Liquid Pb Bi First-principles calculations Dissolution corrosion Corrosion resistance |
| ISSN号 | 0169-4332 |
| DOI | 10.1016/j.apsusc.2022.152686 |
| 通讯作者 | Xu, Yichun(xuyichun@issp.ac.cn) ; Wu, Xuebang(xbwu@issp.ac.cn) |
| 英文摘要 | The dissolution corrosion of liquid Pb/Bi on 4H-SiC (0001) surfaces are studied based on first-principles calculations and experimental studies. The calculation models of 4H-SiC (0001) surfaces are proposed according to the experimental results, and the rationality of the models is verified by our repeated experiments. Clean surface stability is mainly determined by the strength of surface states due to the dangling bonds. Pb/Bi adatoms accelerate the dissolution of C atoms more severely than that of Si atoms and liquid Bi is more corrosive than liquid Pb, which are consistent with our experimental results. Energetics, microstructural and electronic properties are analyzed to reveal the corrosion mechanism of liquid Pb/Bi. Moreover, we provide a theoretical scheme to improve the corrosion resistance of 4H-SiC by adjusting the charges of vacancies and changing the relative position of Fermi level. |
| WOS关键词 | AB-INITIO ; ADSORPTION |
| 资助项目 | National Key Research and Develop-ment Program of China[2017YFE0302400] ; National Key Research and Develop-ment Program of China[2017YFA0402800] ; National Nature Science Foundation of China[11735015] ; National Nature Science Foundation of China[52071314] ; National Nature Science Foundation of China[51871207] ; National Nature Science Foundation of China[12075194] ; National Nature Science Foundation of China[U1832206] ; National Nature Science Foundation of China[U1967211] ; National Nature Science Foundation of China[52171084] ; Sichuan Provincial Science and Tech-nology Program, China[2020ZYD055] ; Hefei advanced computing center |
| WOS研究方向 | Chemistry ; Materials Science ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000777772100003 |
| 出版者 | ELSEVIER |
| 资助机构 | National Key Research and Develop-ment Program of China ; National Nature Science Foundation of China ; Sichuan Provincial Science and Tech-nology Program, China ; Hefei advanced computing center |
| 源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/128587]  |
| 专题 | 中国科学院合肥物质科学研究院 |
| 通讯作者 | Xu, Yichun; Wu, Xuebang |
| 作者单位 | 1.Chinese Acad Sci, Inst Modern Phys, Lanzhou 73000, Peoples R China 2.Southwest Univ Sci & Technol, State Key Lab Environm Friendly Energy Mat, Mianyang 621000, Sichuan, Peoples R China 3.Univ Sci & Technol China, Hefei 230026, Peoples R China 4.Chinese Acad Sci, Key Lab Mat Phys, Inst Solid State Phys, HFIPS, Hefei 230031, Peoples R China |
| 推荐引用方式 GB/T 7714 | Lei, Yawei,Zhang, Yange,Li, Xiangyan,et al. Simulation and experimental studies of the dissolution corrosion of 4H-SiC in liquid Pb/Bi[J]. APPLIED SURFACE SCIENCE,2022,585. |
| APA | Lei, Yawei.,Zhang, Yange.,Li, Xiangyan.,Xu, Yichun.,Wu, Xuebang.,...&Wang, Zhiguang.(2022).Simulation and experimental studies of the dissolution corrosion of 4H-SiC in liquid Pb/Bi.APPLIED SURFACE SCIENCE,585. |
| MLA | Lei, Yawei,et al."Simulation and experimental studies of the dissolution corrosion of 4H-SiC in liquid Pb/Bi".APPLIED SURFACE SCIENCE 585(2022). |
入库方式： OAI收割
来源：合肥物质科学研究院
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