Predicting macro-kinetic observables in electrocatalysis using the generalized degree of rate control

Degree of rate control and De Donder relations – An interpretation based on transition state theory

(2020) Brandon L. Foley et al.   JOURNAL OF CATALYSIS

Solvation at metal/water interfaces: An ab initio molecular dynamics benchmark of common computational approaches

(2020) Hendrik H. Heenen et al.   JOURNAL OF CHEMICAL PHYSICS

pH Effects on Hydrogen Evolution and Oxidation over Pt(111): Insights from First-Principles

(2019) Philomena Schlexer Lamoureux et al.   ACS Catalysis

Tracking Electrical Fields at the Pt/H2O Interface during Hydrogen Catalysis

(2019) Jaeyune Ryu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Apparent Activation Energies in Complex Reaction Mechanisms: A Simple Relationship via Degrees of Rate Control

(2019) Zhongtian Mao et al.   ACS Catalysis

The degree of rate control of catalyst-bound intermediates in catalytic reaction mechanisms: Relationship to site coverage

(2019) Zhongtian Mao et al.   JOURNAL OF CATALYSIS

A Challenge to the G ∼ 0 Interpretation of Hydrogen Evolution

(2019) Per Lindgren et al.   ACS Catalysis

Microkinetic Analysis and Scaling Relations for Catalyst Design

(2018) Ali Hussain Motagamwala et al.   Annual Review of Chemical and Biomolecular Engineering

Elucidating the Roles of Electric Fields in Catalysis: A Perspective

(2018) Fanglin Che et al.   ACS Catalysis

Effect of the Interfacial Water Structure on the Hydrogen Evolution Reaction on Pt(111) Modified with Different Nickel Hydroxide Coverages in Alkaline Media

(2018) Francisco J. Sarabia et al.   ACS Applied Materials & Interfaces

The Degree of Rate Control: A Powerful Tool for Catalysis Research

(2017) Charles T. Campbell   ACS Catalysis

Identifying “Optimal” Electrocatalysts: Impact of Operating Potential and Charge Transfer Model

(2017) Alex M. Román et al.   ACS Catalysis

Connection between macroscopic kinetic measurables and the degree of rate control

(2017) Mikkel Jørgensen et al.   Catalysis Science & Technology

Interfacial water reorganization as a pH-dependent descriptor of the hydrogen evolution rate on platinum electrodes

(2017) Isis Ledezma-Yanez et al.   Nature Energy

Potential Dependence of Electrochemical Barriers from ab Initio Calculations

(2016) Karen Chan et al.   Journal of Physical Chemistry Letters

Identification of Possible Pathways for C–C Bond Formation during Electrochemical Reduction of CO2: New Theoretical Insights from an Improved Electrochemical Model

(2016) Jason D. Goodpaster et al.   Journal of Physical Chemistry Letters

Mechanistic Explanation of the pH Dependence and Onset Potentials for Hydrocarbon Products from Electrochemical Reduction of CO on Cu (111)

(2016) Hai Xiao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends

(2015) Andrew J. Medford et al.   CATALYSIS LETTERS

Insight on Tafel slopes from a microkinetic analysis of aqueous electrocatalysis for energy conversion

(2015) Tatsuya Shinagawa et al.   Scientific Reports

Defining the transfer coefficient in electrochemistry: An assessment (IUPAC Technical Report)

(2014) Rolando Guidelli et al.   PURE AND APPLIED CHEMISTRY

Tafel Kinetics of Electrocatalytic Reactions: From Experiment to First-Principles

(2014) Ya-Hui Fang et al.   ACS Catalysis

Activity and Selectivity Trends in Synthesis Gas Conversion to Higher Alcohols

(2013) Andrew J. Medford et al.   TOPICS IN CATALYSIS

Theory of multiple proton–electron transfer reactions and its implications for electrocatalysis

(2013) Marc T. M. Koper   Chemical Science

Elementary Mechanisms in Electrocatalysis: Revisiting the ORR Tafel Slope

(2012) Adam Holewinski et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Theory of electrocatalysis: hydrogen evolution and more

(2012) E. Santos et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ionization of water in interfacial electric fields: An electrochemical view

(2011) Eric M. Stuve   CHEMICAL PHYSICS LETTERS

Degree of Rate Control: How Much the Energies of Intermediates and Transition States Control Rates

(2009) Carsten Stegelmann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Potential-dependent water orientation on Pt(111) stepped surfaces from laser-pulsed experiments

(2008) Nuria García-Aráez et al.   ELECTROCHIMICA ACTA