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	Insights into the Role of Dual-Interfacial Sites in Cu/ZrO2 Catalysts in 5-HMF Hydrogenolysis with Isopropanol
	BSRF用户
	2021
Source Publication	ACS APPLIED MATERIALS & INTERFACES
ISSN	1944-8244
EISSN	1944-8252
Volume	13Issue:19Pages:22292--22303
ItemNo	BSRF00589
Subtype	Article
Abstract	In this work, we synthesized a series of Cu/ZrO2 catalysts with tunable V-o-Cu-0 (oxygen vacancy adjacent to Cu metal) and V-Zr-Cu delta+ (zirconium vacancy adjacent to electron-deficient Cu species) dual-interface sites and investigated the role of the dual-interface sites in the 5-hydroxymethylfurfural (5-HMF) hydrogenolysis reaction with isopropanol as the hydrogen source. By combining a series of in situ infrared characterization and catalytic performance analysis, it is identified that V-o-Cu-0 interface sites were responsible for activating isopropanol dehydrogenation and C = O dissociation of 5-HMF, while the V-Zr-Cu delta+ interface sites were responsible for the dehydroxylation of an intermediate product 5-methyl-2-furfuryl alcohol (5-MFA). Specifically, C-OH was first deprotonated on the V-Zr at the V-Zr-Cu delta+ interface site to reduce the activation energy of 5-MFA dehydroxylation and then adjacent Cu delta+ promoted the dissociation of the C-O bond by enhancing the adsorption energy while elongating the C-O bond, as confirmed by the density functional theory calculations. Because the dual-interface sites provided separate sites for activating intermediate products and reactants, the coupling reaction caused by competitive adsorption is thus well avoided. Therefore, the optimized Cu/ZrO2 catalyst with the most V-Zr-Cu delta+ and moderate V-o-Cu-0 sites exhibited 98.4% of 2,5-dimethylfuran yield under the conditions of 180 degrees C and self-vapor pressure.
DOI	10.1021/acsami.1c01225
Indexed By	SCI
Language	英语
WOS Research Area	Science & Technology - Other Topics ; Materials Science
WOS Subject	Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS ID	WOS:000655027500020
beamline	4B7B
Citation statistics
Document Type	期刊论文
Identifier	http://ir.ihep.ac.cn/handle/311005/293357
Collection	北京同步辐射装置
Recommended Citation GB/T 7714	BSRF用户. Insights into the Role of Dual-Interfacial Sites in Cu/ZrO2 Catalysts in 5-HMF Hydrogenolysis with Isopropanol[J]. ACS APPLIED MATERIALS & INTERFACES,2021,13(19):22292--22303.
APA	BSRF用户.(2021).Insights into the Role of Dual-Interfacial Sites in Cu/ZrO2 Catalysts in 5-HMF Hydrogenolysis with Isopropanol.ACS APPLIED MATERIALS & INTERFACES,13(19),22292--22303.
MLA	BSRF用户."Insights into the Role of Dual-Interfacial Sites in Cu/ZrO2 Catalysts in 5-HMF Hydrogenolysis with Isopropanol".ACS APPLIED MATERIALS & INTERFACES 13.19(2021):22292--22303.

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