Modelling the activity trend of the hydrogen oxidation reaction under constant potential conditions

doi:10.1039/d4cc01825g

	Modelling the activity trend of the hydrogen oxidation reaction under constant potential conditions
	Ling, Wenhui; Liu, Jian; Yang, Bo
	2024-09-05
发表期刊	CHEMICAL COMMUNICATIONS (IF:4.3[JCR-2023],4.4[5-Year])
ISSN	1359-7345
EISSN	1364-548X
卷号	60 期号:72 页码:9829-9832
发表状态	已发表
DOI	10.1039/d4cc01825g
摘要	["A microkinetic model is constructed for the electrocatalytic alkaline hydrogen oxidation reaction based on grand canonical density functional theory calculations and linear relationships with the adsorption energies of hydrogen and hydroxide as descriptors. Using this model, the activity trend suitable for efficient catalyst screening has been identified.","A microkinetic model is constructed for the electrocatalytic alkaline hydrogen oxidation reaction, using which the activity trend suitable for efficient catalyst screening has been identified."]
关键词	Alkalinity Oxidation Alkalines Constant Potential Density-functional theory calculations Electrocatalytic Grand canonical Hydrogen oxidation reaction Linear relationships Microkinetic modeling Potential conditions Reaction under
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收录类别	SCI ; EI
语种	英语
资助项目	National Natural Science Foundation of China[
WOS研究方向	Chemistry
WOS类目	Chemistry, Multidisciplinary
WOS记录号	WOS:001295533800001
出版者	ROYAL SOC CHEMISTRY
EI入藏号	20243516928075
EI主题词	Hydrolysis
EI分类号	801 Chemistry ; 802.2 Chemical Reactions
原始文献类型	Article in Press
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/415552
专题	物质科学与技术学院物质科学与技术学院_PI研究组_杨波组物质科学与技术学院_博士生
通讯作者	Yang, Bo
作者单位	ShanghaiTech Univ, Sch Phys Sci & Technol, 393 Middle Huaxia Rd, Shanghai 201210, Peoples R China
第一作者单位	物质科学与技术学院
通讯作者单位	物质科学与技术学院
第一作者的第一单位	物质科学与技术学院
推荐引用方式 GB/T 7714	Ling, Wenhui,Liu, Jian,Yang, Bo. Modelling the activity trend of the hydrogen oxidation reaction under constant potential conditions[J]. CHEMICAL COMMUNICATIONS,2024,60(72):9829-9832.
APA	Ling, Wenhui,Liu, Jian,&Yang, Bo.(2024).Modelling the activity trend of the hydrogen oxidation reaction under constant potential conditions.CHEMICAL COMMUNICATIONS,60(72),9829-9832.
MLA	Ling, Wenhui,et al."Modelling the activity trend of the hydrogen oxidation reaction under constant potential conditions".CHEMICAL COMMUNICATIONS 60.72(2024):9829-9832.