Theoretical Study of CO Adsorption on Perfect and Defective Gold Surfaces
The activities of Au(111), Au(100) and Au(110) surfaces, as well as the activity of an Au adatom on Au(111), Au(100) and Au(110) surfaces have been characterized by density functional theory using CO as a probe. The results clearly show that the activity of Au surfaces towards CO adsorption is attri...
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| Format: | Article |
| Language: | English |
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SAGE Publishing
2013-09-01
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| Series: | Adsorption Science & Technology |
| Online Access: | https://doi.org/10.1260/0263-6174.31.9.823 |
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| _version_ | 1832544558061191168 |
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| author | Yingying Wang Bing Xu Wanyi Shen |
| author_facet | Yingying Wang Bing Xu Wanyi Shen |
| author_sort | Yingying Wang |
| collection | DOAJ |
| description | The activities of Au(111), Au(100) and Au(110) surfaces, as well as the activity of an Au adatom on Au(111), Au(100) and Au(110) surfaces have been characterized by density functional theory using CO as a probe. The results clearly show that the activity of Au surfaces towards CO adsorption is attributable to the presence of low-coordinated gold atoms to which the molecule binds. The results may enrich the understanding of CO adsorption on Au surfaces. |
| format | Article |
| id | doaj-art-8bb1eaa4fcc6446a8b8a71a0766164e9 |
| institution | Kabale University |
| issn | 0263-6174 2048-4038 |
| language | English |
| publishDate | 2013-09-01 |
| publisher | SAGE Publishing |
| record_format | Article |
| series | Adsorption Science & Technology |
| spelling | doaj-art-8bb1eaa4fcc6446a8b8a71a0766164e92025-02-03T10:08:09ZengSAGE PublishingAdsorption Science & Technology0263-61742048-40382013-09-013110.1260/0263-6174.31.9.823Theoretical Study of CO Adsorption on Perfect and Defective Gold SurfacesYingying Wang0Bing Xu1Wanyi Shen2 Institute of Theoretical Chemistry, Shandong University, Jinan 250100, P.R. China Shandong Silk Textile Vocational College, Zibo 255300, P.R. China Shandong Silk Textile Vocational College, Zibo 255300, P.R. ChinaThe activities of Au(111), Au(100) and Au(110) surfaces, as well as the activity of an Au adatom on Au(111), Au(100) and Au(110) surfaces have been characterized by density functional theory using CO as a probe. The results clearly show that the activity of Au surfaces towards CO adsorption is attributable to the presence of low-coordinated gold atoms to which the molecule binds. The results may enrich the understanding of CO adsorption on Au surfaces.https://doi.org/10.1260/0263-6174.31.9.823 |
| spellingShingle | Yingying Wang Bing Xu Wanyi Shen Theoretical Study of CO Adsorption on Perfect and Defective Gold Surfaces Adsorption Science & Technology |
| title | Theoretical Study of CO Adsorption on Perfect and Defective Gold Surfaces |
| title_full | Theoretical Study of CO Adsorption on Perfect and Defective Gold Surfaces |
| title_fullStr | Theoretical Study of CO Adsorption on Perfect and Defective Gold Surfaces |
| title_full_unstemmed | Theoretical Study of CO Adsorption on Perfect and Defective Gold Surfaces |
| title_short | Theoretical Study of CO Adsorption on Perfect and Defective Gold Surfaces |
| title_sort | theoretical study of co adsorption on perfect and defective gold surfaces |
| url | https://doi.org/10.1260/0263-6174.31.9.823 |
| work_keys_str_mv | AT yingyingwang theoreticalstudyofcoadsorptiononperfectanddefectivegoldsurfaces AT bingxu theoreticalstudyofcoadsorptiononperfectanddefectivegoldsurfaces AT wanyishen theoreticalstudyofcoadsorptiononperfectanddefectivegoldsurfaces |