Co and h-2 activation over g-zno layers and w-zno(0001)
文献类型：期刊论文
| 作者 | Chen, Hao1,2; Lin, Le3; Li, Yifan4; Wang, Rui5,6; Gong, Zhongmiao; Cui, Yi5; Li, Yangsheng1,2; Liu, Yun1; Zhao, Xinfei1,2; Huang, Wugen1,2 |
| 刊名 | Acs catalysis
 |
| 出版日期 | 2019-02-01 |
| 卷号 | 9期号:2页码:1373-1382 |
| 关键词 | Zno Co oxidation Nap-stm Xps Oxygen vacancy Surface polarity |
| ISSN号 | 2155-5435 |
| DOI | 10.1021/acscatal.8b03687 |
| 通讯作者 | Yang, fan(fyang@dicp.ac.cn) ; Bao, xinhe(xhbao@dicp.ac.cn) |
| 英文摘要 | Graphene-like zno (g-zno) nanostructures (nss) and thin films were prepared on au(111), and their reactivities toward co and h-2 were compared with that of wurtzite zno (w-zno) (0001) single crystals. the interaction and reaction between co/h-2 and the different types of zno surfaces were studied using near-ambient-pressure scanning tunneling microscopy (nap-stm), x-ray photoelectron spectroscopy (xps), and density functional theory (dft) calculations. the reactivity of the w-zno(0001) surface toward co and h-2 was found to be more prominent than those on the surfaces of g-zno/au(111). co oxidation took place primarily at the edge sites of w-zno(0001) and the interface between g-zno nss and au(111), while g-zno thin films on au(111) appeared to be inert below 600 k. similarly, the w-zno(0001) surface could dissociate h-2 at 300 k, accompanied by a substantial surface reconstruction, while g-zno on au(111) appeared inert for h-2 activation at 300 k. dft calculations showed that the reactivities of zno surfaces toward co could be related to the formation energy of oxygen vacancy (e-ovf), which could be related to the charge transfer to lattice oxygen atoms or surface polarity. |
| WOS关键词 | GENERALIZED GRADIENT APPROXIMATION ; INITIO MOLECULAR-DYNAMICS ; TOTAL-ENERGY CALCULATIONS ; SELECTIVE CONVERSION ; METHANOL SYNTHESIS ; AU(111) ; FILMS ; CATALYSTS ; AG(111) ; STABILIZATION |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Physical |
| 语种 | 英语 |
| WOS记录号 | WOS:000458707000061 |
| 出版者 | AMER CHEMICAL SOC |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2372767 |
| 专题 | 大连化学物理研究所 |
| 通讯作者 | Yang, Fan; Bao, Xinhe |
| 作者单位 | 1.Chinese Acad Sci, State Key Lab Catalysis, CAS Ctr Excellence Nanosci, IChEM,Dalian Inst Chem Phys, 457 Zhongshan Rd, Dalian 116023, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 201210, Peoples R China 4.Univ Sci & Technol China, Dept Chem Phys, Hefei 230026, Anhui, Peoples R China 5.Chinese Acad Sci, Vacuum Interconnected Nanotech Workstn, Suzhou Inst Nanotech & Nanobion, 398 Ruoshui Rd, Suzhou 215123, Peoples R China 6.Univ Sci & Technol China, Nano Sci & Technol Inst, Suzhou 215123, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chen, Hao,Lin, Le,Li, Yifan,et al. Co and h-2 activation over g-zno layers and w-zno(0001)[J]. Acs catalysis,2019,9(2):1373-1382. |
| APA | Chen, Hao.,Lin, Le.,Li, Yifan.,Wang, Rui.,Gong, Zhongmiao.,...&Bao, Xinhe.(2019).Co and h-2 activation over g-zno layers and w-zno(0001).Acs catalysis,9(2),1373-1382. |
| MLA | Chen, Hao,et al."Co and h-2 activation over g-zno layers and w-zno(0001)".Acs catalysis 9.2(2019):1373-1382. |
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来源：大连化学物理研究所
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