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Regulating reconstr...
Regulating reconstruction of oxide-derived Cu for electrochemical CO2 reduction toward n-propanol
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Long, Chang (author)
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Liu, Xiaolong (author)
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Wan, Kaiwei (author)
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Jiang, Yuheng (author)
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An, Pengfei (author)
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Yang, Caoyu (author)
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Wu, Guoling (author)
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Wang, Wenyang (author)
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Guo, Jun (author)
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Li, Lei (author)
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- Pang, Kanglei, 1993- (author)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK)
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Li, Qun (author)
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Cui, Chunhua (author)
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Liu, Shaoqin (author)
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Tan, Ting (author)
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Tang, Zhiyong (author)
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(creator_code:org_t)
- 2023
- 2023
- English.
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In: Science Advances. - 2375-2548. ; 9:43
- Related links:
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https://doi.org/10.1...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
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- Oxide-derived copper (OD-Cu) is the most efficient and likely practical electrocatalyst for CO2 reduction toward multicarbon products. However, the inevitable but poorly understood reconstruction from the pristine state to the working state of OD-Cu under strong reduction conditions largely hinders the rational construction of catalysts toward multicarbon products, especially C-3 products like n-propanol. Here, we simulate the reconstruction of CuO and Cu2O into their derived Cu by molecular dynamics, revealing that CuO-derived Cu (CuOD-Cu) intrinsically has a richer population of undercoordinated Cu sites and higher surficial Cu atom density than the counterpart Cu2O-derived Cu (Cu2OD-Cu) because of the vigorous oxygen removal. In situ spectroscopes disclose that the coordination number of CuOD-Cu is considerably lower than that of Cu2OD-Cu, enabling the fast kinetics of CO2 reaction and strengthened binding of *C-2 intermediate(s). Benefiting from the rich undercoordinated Cu sites, CuOD-Cu achieves remarkable n-propanol faradaic efficiency up to similar to 17.9%, whereas the Cu2OD-Cu dominantly generates formate.
Subject headings
- MEDICIN OCH HÄLSOVETENSKAP -- Medicinsk bioteknologi -- Biomaterialvetenskap (hsv//swe)
- MEDICAL AND HEALTH SCIENCES -- Medical Biotechnology -- Biomaterials Science (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Long, Chang
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Liu, Xiaolong
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Wan, Kaiwei
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Jiang, Yuheng
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An, Pengfei
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Yang, Caoyu
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show more...
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Wu, Guoling
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Wang, Wenyang
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Guo, Jun
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Li, Lei
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Pang, Kanglei, 1 ...
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Li, Qun
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Cui, Chunhua
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Liu, Shaoqin
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Tan, Ting
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Tang, Zhiyong
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show less...
- About the subject
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- MEDICAL AND HEALTH SCIENCES
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MEDICAL AND HEAL ...
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and Medical Biotechn ...
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and Biomaterials Sci ...
- Articles in the publication
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Science Advances
- By the university
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Stockholm University