Why approximating electrocatalytic activity by a single free‐energy change is insufficient
出版年份 2021 全文链接
标题
Why approximating electrocatalytic activity by a single free‐energy change is insufficient
作者
关键词
Electrocatalysis, Oxygen evolution reaction, Thermodynamic overpotential, Electrochemical-step symmetry index, G, max, (η)
出版物
ELECTROCHIMICA ACTA
Volume 375, Issue -, Pages 137975
出版商
Elsevier BV
发表日期
2021-02-18
DOI
10.1016/j.electacta.2021.137975
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Universality in Oxygen Evolution Electrocatalysis: High‐Throughput Screening and a Priori Determination of the Rate‐Determining Reaction Step
- (2020) Kai S. Exner ChemCatChem
- Double layer charging driven carbon dioxide adsorption limits the rate of electrochemical carbon dioxide reduction on Gold
- (2020) Stefan Ringe et al. Nature Communications
- Does a Thermoneutral Electrocatalyst Correspond to the Apex of a Volcano Plot for a Simple Two‐Electron Process?
- (2020) Kai S. Exner ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Recent Progress in the Development of Screening Methods to Identify Electrode Materials for the Oxygen Evolution Reaction
- (2020) Kai S. Exner ADVANCED FUNCTIONAL MATERIALS
- A Universal Descriptor for the Screening of Electrode Materials for Multiple-Electron Processes: Beyond the Thermodynamic Overpotential
- (2020) Kai S. Exner ACS Catalysis
- Assessing Correlations of Perovskite Catalytic Performance with Electronic Structure Descriptors
- (2019) Ryan Jacobs et al. CHEMISTRY OF MATERIALS
- Outlining the Scaling-based and Scaling-free Optimization of Electrocatalysts
- (2019) Nitish Govindarajan et al. ACS Catalysis
- Is Thermodynamics a Good Descriptor for the Activity? Re-Investigation of Sabatier’s Principle by the Free Energy Diagram in Electrocatalysis
- (2019) Kai S. Exner ACS Catalysis
- Insights into the Electrochemical Oxygen Evolution Reaction with ab Initio Calculations and Microkinetic Modeling: Beyond the Limiting Potential Volcano
- (2019) Colin F. Dickens et al. Journal of Physical Chemistry C
- Beyond the Traditional Volcano Concept: Overpotential-Dependent Volcano Plots Exemplified by the Chlorine Evolution Reaction over Transition-Metal Oxides
- (2019) Kai S. Exner Journal of Physical Chemistry C
- Activity and Selectivity Trends in Electrocatalytic Nitrate Reduction on Transition Metals
- (2019) Jin-Xun Liu et al. ACS Catalysis
- Using Artificial Intelligence To Forecast Water Oxidation Catalysts
- (2019) Regina Palkovits et al. ACS Catalysis
- Shift of the Optimum Binding Energy at Higher Rates of Catalysis
- (2019) Hideshi Ooka et al. Journal of Physical Chemistry Letters
- Potential-Dependent Volcano Plot for Oxygen Reduction: Mathematical Origin and Implications for Catalyst Design
- (2019) Yufan Zhang et al. Journal of Physical Chemistry Letters
- Universal scaling relations for the rational design of molecular water oxidation catalysts with near-zero overpotential
- (2019) Michael John Craig et al. Nature Communications
- Comparison of the Conventional Volcano Analysis with a Unifying Approach: Material Screening Based on a Combination of Experiment and Theory
- (2019) Kai S. Exner Journal of Physical Chemistry C
- A Universal Approach To Determine the Free Energy Diagram of an Electrocatalytic Reaction
- (2018) Kai S. Exner et al. ACS Catalysis
- Quantifying Confidence in DFT Predicted Surface Pourbaix Diagrams and Associated Reaction Pathways for Chlorine Evolution
- (2018) Vaidish Sumaria et al. ACS Catalysis
- Energetic Span as a Rate-Determining Term for Electrocatalytic Volcanos
- (2018) Junxiang Chen et al. ACS Catalysis
- Combining theory and experiment in electrocatalysis: Insights into materials design
- (2017) Zhi Wei Seh et al. SCIENCE
- How covalence breaks adsorption-energy scaling relations and solvation restores them
- (2017) Federico Calle-Vallejo et al. Chemical Science
- A Critical Review on Hydrogen Evolution Electrocatalysis: Re-exploring the Volcano-relationship
- (2016) Aleksandar R. Zeradjanin et al. ELECTROANALYSIS
- Why Is Bulk Thermochemistry a Good Descriptor for the Electrocatalytic Activity of Transition Metal Oxides?
- (2015) Federico Calle-Vallejo et al. ACS Catalysis
- Orientation-Dependent Oxygen Evolution Activities of Rutile IrO2 and RuO2
- (2014) Kelsey A. Stoerzinger et al. Journal of Physical Chemistry Letters
- Tafel Kinetics of Electrocatalytic Reactions: From Experiment to First-Principles
- (2014) Ya-Hui Fang et al. ACS Catalysis
- Volcano plots in hydrogen electrocatalysis – uses and abuses
- (2014) Paola Quaino et al. Beilstein Journal of Nanotechnology
- Electrochemical water splitting by gold: evidence for an oxide decomposition mechanism
- (2013) Oscar Diaz-Morales et al. Chemical Science
- Theory of multiple proton–electron transfer reactions and its implications for electrocatalysis
- (2013) Marc T. M. Koper Chemical Science
- Double perovskites as a family of highly active catalysts for oxygen evolution in alkaline solution
- (2013) Alexis Grimaud et al. Nature Communications
- First-principles computational electrochemistry: Achievements and challenges
- (2012) Federico Calle-Vallejo et al. ELECTROCHIMICA ACTA
- Analysis of electrocatalytic reaction schemes: distinction between rate-determining and potential-determining steps
- (2012) Marc T. M. Koper JOURNAL OF SOLID STATE ELECTROCHEMISTRY
- Oxygen reduction and evolution at single-metal active sites: Comparison between functionalized graphitic materials and protoporphyrins
- (2012) F. Calle-Vallejo et al. SURFACE SCIENCE
- A refinement of everyday thinking: the energetic span model for kinetic assessment of catalytic cycles
- (2012) Sebastian Kozuch Wiley Interdisciplinary Reviews-Computational Molecular Science
- Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
- (2011) Isabela C. Man et al. ChemCatChem
- A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles
- (2011) J. Suntivich et al. SCIENCE
- How to Conceptualize Catalytic Cycles? The Energetic Span Model
- (2010) Sebastian Kozuch et al. ACCOUNTS OF CHEMICAL RESEARCH
- Thermodynamic theory of multi-electron transfer reactions: Implications for electrocatalysis
- (2010) Marc T.M. Koper JOURNAL OF ELECTROANALYTICAL CHEMISTRY
- Reactivity Theory of Transition-Metal Surfaces: A Brønsted−Evans−Polanyi Linear Activation Energy−Free-Energy Analysis
- (2009) Rutger A. van Santen et al. CHEMICAL REVIEWS
- Tafel slopes from first principles
- (2008) Stephen Fletcher JOURNAL OF SOLID STATE ELECTROCHEMISTRY
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