Screening highly active perovskites for hydrogen-evolving reaction via unifying ionic electronegativity descriptor

doi:10.1038/s41467-019-11847-w

CORC > 上海应用物理研究所 > 中国科学院上海应用物理研究所 > 中科院上海应用物理研究所2011-2017年

	Screening highly active perovskites for hydrogen-evolving reaction via unifying ionic electronegativity descriptor
	Guan, DQ ; Zhou, J ; Huang, YC ; Dong, CL ; Wang, JQ ; Zhou, W ; Shao, ZP
刊名	NATURE COMMUNICATIONS
	2019
卷号	10 页码:-
关键词	OXYGEN EVOLUTION REACTION ENERGY SCALING RELATIONS METAL-COMPOUNDS OXIDES ELECTROCATALYSIS CATALYSIS OXIDATION
ISSN号	2041-1723
DOI	10.1038/s41467-019-11847-w
文献子类	期刊论文
英文摘要	Facile and reliable screening of cost-effective, high-performance and scalable electrocatalysts is key for energy conversion technologies such as water splitting. ABO(3)(-delta) perovskites, with rich constitutions and structures, have never been designed via activity descriptors for critical hydrogen evolution reaction (HER). Here, we apply coordination rationales to introduce A-site ionic electronegativity (AIE) as an efficient unifying descriptor to predict the HER activities of 13 cobalt-based perovskites. Compared with A-site structural or thermodynamic parameter, AIE endows the HER activity with the best volcano trend. (Gd0.5La0.5)BaCo2O5.5+delta predicted from an AIE value of similar to 2.33 exceeds the state-of-the-art Pt/C catalyst in electrode activity and stability. X-ray absorption and computational studies reveal that the peak HER activities at a moderate AIE value of similar to 2.33 can be associated with the optimal electronic states of active B-sites via inductive effect in perovskite structure (similar to 200 nm depth), including Co valence, Co-O bond covalency, band gap and O 2p-band position.
语种	英语
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/32194]
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.Nanjing Tech Univ, Coll Chem Engn, State Key Lab Mat Oriented Chem Engn, Nanjing 211800, Jiangsu, Peoples R China; 2.Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201204, Peoples R China; 3.Tamkang Univ, Dept Phys, 151 Yingzhuan Rd, New Taipei, Taiwan
推荐引用方式 GB/T 7714	Guan, DQ,Zhou, J,Huang, YC,et al. Screening highly active perovskites for hydrogen-evolving reaction via unifying ionic electronegativity descriptor[J]. NATURE COMMUNICATIONS,2019,10:-.
APA	Guan, DQ.,Zhou, J.,Huang, YC.,Dong, CL.,Wang, JQ.,...&Shao, ZP.(2019).Screening highly active perovskites for hydrogen-evolving reaction via unifying ionic electronegativity descriptor.NATURE COMMUNICATIONS,10,-.
MLA	Guan, DQ,et al."Screening highly active perovskites for hydrogen-evolving reaction via unifying ionic electronegativity descriptor".NATURE COMMUNICATIONS 10(2019):-.