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

淡江大學機構典藏 > 理學院 > 物理學系暨研究所 > 期刊論文 > Item 987654321/118675

jsp.display-item.identifier=請使用永久網址來引用或連結此文件: https://tkuir.lib.tku.edu.tw/dspace/handle/987654321/118675

题名:	Screening highly active perovskites for hydrogen-evolving reaction via unifying ionic electronegativity descriptor
作者:	D. Guan;J. Zhou;Y. C. Huang;C. L. Dong;J. Q. Wang;W. Zhou;Z. Shao
日期:	2019-12
上传时间:	2020-06-01 12:12:45 (UTC+8)
摘要:	Facile and reliable screening of cost-effective, high-performance and scalable electrocatalysts is key for energy conversion technologies such as water splitting. ABO3-δ 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+δ predicted from an AIE value of ~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 ~2.33 can be associated with the optimal electronic states of active B-sites via inductive effect in perovskite structure (~200 nm depth), including Co valence, Co-O bond covalency, band gap and O 2p-band position.
關聯:	Nature Communications 10, 3755
DOI:	10.1038/s41467-019-11847-w
显示于类别:	[物理學系暨研究所] 期刊論文

文件中的档案:

档案	描述	大小	格式	浏览次数
index.html		0Kb	HTML	92	检视/开启
Screening highly active perovskites for hydrogen-evolving reaction via unifying ionic electronegativity descriptor.pdf		1272Kb	Adobe PDF	114	检视/开启

在機構典藏中所有的数据项都受到原著作权保护.

TAIR相关文章