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Physical Chemistry Chemical Physics : PCCP|August 19, 2024
Best practices of modeling complex materials in electrocatalysis, exemplified by oxygen evolution reaction on pentlanditesMaksim Sokolov, Katharina Doblhoff-Dier, Kai S Exner
Angewandte Chemie (International Ed. in English)|August 27, 2014
Controlling selectivity in the chlorine evolution reaction over RuO₂-based catalystsKai S Exner, Josef Anton, Timo Jacob, et al.
Angewandte Chemie (International Ed. in English)|May 12, 2016
Full Kinetics from First Principles of the Chlorine Evolution Reaction over a RuO2 (110) Model ElectrodeKai S Exner, Josef Anton, Timo Jacob, et al.
Angewandte Chemie (International Ed. in English)|October 7, 2024
Renaissance of Chlorine Evolution Reaction: Emerging Theory and Catalytic MaterialsJinjong Kim, Muhammad Usama, Kai S Exner, et al.
Physical Chemistry Chemical Physics : PCCP|February 12, 2026
OER trends on TiO2 anatase hydroxylated surfaces: a DFT studyIsabela-Costinela Man, Maksim Sokolov, Kai S Exner, et al.
ACS Applied Materials & Interfaces|January 15, 2025
Conventional versus Unconventional Oxygen Reduction Reaction Intermediates on Single Atom CatalystsTahereh Jangjooye Shaldehi, Soosan Rowshanzamir, Kai S Exner, et al.
Nature Communications|July 3, 2025
Oxygen evolution reaction on IrO2(110) is governed by Walden-type mechanismsMuhammad Usama, Samad Razzaq, Christof Hättig, et al.
The Journal of Physical Chemistry Letters|June 27, 2022
Perspectives on the Competition between the Electrochemical Water and N2 Oxidation on a TiO2(110) ElectrodeEbrahim Tayyebi, Árni Björn Höskuldsson, André Wark, et al.
Journal of the American Chemical Society|December 16, 2024
MXenes Spontaneously Form Active and Selective Single-Atom Centers under Anodic Polarization ConditionsSamad Razzaq, Shohreh Faridi, Stephane Kenmoe, et al.
Angewandte Chemie (International Ed. in English)|May 4, 2026
Unifying Scaling Relations and Multiple Reaction Mechanisms for Screening Transition Metal-Doped Co3O4 for Oxygen Evolution ReactionKapil Dhaka, Hatem M A Amin, Davide Beschi, et al.
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