Enhancing Bifunctional Electrocatalytic Activities via Metal d-Band Center Lift Induced by Oxygen Vacancy on the Subsurface of Perovskites

doi:10.1021/acscatal.0c01104

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	Enhancing Bifunctional Electrocatalytic Activities via Metal d-Band Center Lift Induced by Oxygen Vacancy on the Subsurface of Perovskites
	Lee, H ; Gwon, O ; Choi, K ; Zhang, LJ ; Zhou, J ; Park, J ; Yoo, JW ; Wang, JQ ; Lee, JH ; Kim, G
刊名	ACS CATALYSIS
	2020
卷号	10 期号:8 页码:4664-4670
关键词	EVOLUTION REACTION OXIDE CATALYSTS REDUCTION EFFICIENT
ISSN号	2155-5435
DOI	10.1021/acscatal.0c01104
文献子类	期刊论文
英文摘要	For efficient electrochemical catalysts, several molecular-scale descriptors have been proposed for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). Various descriptors of perovskite catalysts have been proposed successfully for understanding either ORR or OER, but previous studies are insufficient to explain and thus boost up both ORR and OER simultaneously due to obstacles such as many different chemical compositions, structures, and metal orbital bands. Therefore, we investigate ORR/OER activities as a function of only oxygen vacancy concentration in perovskite oxides of Sm0.5Sr0.5CoO3-delta (SSC) to check the close relationship between delta (delta) and the electronic structure. Interestingly, the improved performance of both ORR and OER is explained by the change in the oxidation state of the transition metal caused by the increase in oxygen vacancies. Unfortunately, most previous research studies have focused on the effect of only oxygen vacancy (delta) on responsiveness. To confirm this, we performed density functional theory (DFT) analysis to find the more dominant factor on whether the activity descriptor is either delta or oxidation states of transition metals. The DFT analysis reveals that the ORR and OER activities of SSC are simultaneously improved by the reduced gap between d- and p-band centers (Delta Ed-p) caused by the raised d-band center (M-d). X-ray absorption spectroscopy has provided the exact electronic states of all the transition metals. Here, we report that an important factor of ORR/OER is affected only by the oxidation state of the transition metal in the perovskite oxide, not by the oxygen vacancy concentration.
语种	英语
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/32858]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
作者单位	1.Samsung Electromech, Component Solut Div, Component Ind & Automot Dev Grp, Busan 46754, South Korea 2.Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China 3.UNIST, Sch Energy & Chem Engn, Ulsan 44919, South Korea 4.UNIST, Dept Phys, Ulsan 44919, South Korea 5.UNIST, Sch Mat Sci & Engn, Ulsan 44919, South Korea
推荐引用方式 GB/T 7714	Lee, H,Gwon, O,Choi, K,et al. Enhancing Bifunctional Electrocatalytic Activities via Metal d-Band Center Lift Induced by Oxygen Vacancy on the Subsurface of Perovskites[J]. ACS CATALYSIS,2020,10(8):4664-4670.
APA	Lee, H.,Gwon, O.,Choi, K.,Zhang, LJ.,Zhou, J.,...&Kim, G.(2020).Enhancing Bifunctional Electrocatalytic Activities via Metal d-Band Center Lift Induced by Oxygen Vacancy on the Subsurface of Perovskites.ACS CATALYSIS,10(8),4664-4670.
MLA	Lee, H,et al."Enhancing Bifunctional Electrocatalytic Activities via Metal d-Band Center Lift Induced by Oxygen Vacancy on the Subsurface of Perovskites".ACS CATALYSIS 10.8(2020):4664-4670.