DICP OpenIR
CO and H-2 Activation over g-ZnO Layers and w-ZnO(0001)
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; Fu, Qiang1; Yang, Fan1; Bao, Xinhe1
Corresponding AuthorYang, Fan(fyang@dicp.ac.cn) ; Bao, Xinhe(xhbao@dicp.ac.cn)
KeywordZnO CO oxidation NAP-STM XPS oxygen vacancy surface polarity
Source PublicationACS CATALYSIS
2019-02-01
ISSN2155-5435
DOI10.1021/acscatal.8b03687
Volume9Issue:2Pages:1373-1382
Funding ProjectMinistry of Science and Technology of China[2017YFB0602205] ; Ministry of Science and Technology of China[2016YFA0202803] ; Strategic Priority Research Program of the Chinese Academy of Sciences[XDB17020200] ; Natural Science Foundation of China[21473191] ; Natural Science Foundation of China[91545204]
Funding OrganizationMinistry of Science and Technology of China ; Ministry of Science and Technology of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Natural Science Foundation of China ; Natural Science Foundation of China ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Natural Science Foundation of China ; Natural Science Foundation of China ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Natural Science Foundation of China ; Natural Science Foundation of China ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Natural Science Foundation of China ; Natural Science Foundation of China
WOS SubjectChemistry, Physical
WOS Research AreaChemistry
WOS KeywordGENERALIZED GRADIENT APPROXIMATION ; INITIO MOLECULAR-DYNAMICS ; TOTAL-ENERGY CALCULATIONS ; SELECTIVE CONVERSION ; METHANOL SYNTHESIS ; AU(111) ; FILMS ; CATALYSTS ; AG(111) ; STABILIZATION
AbstractGraphene-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.
Language英语
Funding OrganizationMinistry of Science and Technology of China ; Ministry of Science and Technology of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Natural Science Foundation of China ; Natural Science Foundation of China ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Natural Science Foundation of China ; Natural Science Foundation of China ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Natural Science Foundation of China ; Natural Science Foundation of China ; Ministry of Science and Technology of China ; Ministry of Science and Technology of China ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Natural Science Foundation of China ; Natural Science Foundation of China
WOS IDWOS:000458707000061
PublisherAMER CHEMICAL SOC
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/165997
Collection中国科学院大连化学物理研究所
Corresponding AuthorYang, Fan; Bao, Xinhe
Affiliation1.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
Recommended Citation
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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