过电位
析氧
电催化剂
先验与后验
缩放比例
催化作用
材料科学
生物系统
统计物理学
电化学
电极
化学
物理
生物
物理化学
数学
几何学
认识论
哲学
生物化学
出处
期刊:Chemcatchem
[Wiley]
日期:2020-01-16
卷期号:12 (7): 2000-2003
被引量:25
标识
DOI:10.1002/cctc.201902363
摘要
Abstract Material screening is commonly based on the assessment of linear scaling relations that translate to a Volcano curve in order to identify promising electrode materials, situated at the apex of the Volcano. Recently, an advanced material‐screening approach, entitled ESSI‐descriptor activity maps, has been introduced by the author. This methodology goes beyond the thermodynamic framework of Volcano plots, as the concept of ESSI‐descriptor activity maps evaluates, besides binding energies, the kinetics, applied overpotential, and catalytic symmetry in terms of the electrochemical‐step symmetry index (ESSI). Herein, the concept of ESSI‐descriptor activity maps is exerted to the oxygen evolution reaction (OER) to derive universal relationships. In contrast to the common procedure in the literature, a suitable range of values for the linear scaling relation's offset is a priori included in the presented model, which enables high‐throughput screening of OER catalysts and determination of the rate‐determining reaction step (rds) at overpotentials corresponding to typical reaction conditions ( η OER =0.40 V).
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