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Chemical Reviews|June 25, 2026
Electrochemical Electron Transfer: Key Concepts, Theories, and Parameterization via Atomistic SimulationsMengke Zhang, Yanxia Chen, Marko M Melander, et al.
The Journal of Chemical Physics|April 8, 2025
Double-layer capacitance peaks: Origins, ion dependence, and temperature effectsErfei Zhen, Yanxia Chen, Jun Huang
Proceedings of the National Academy of Sciences of the United States of America|August 14, 2023
Correlated surface-charging behaviors of two electrodes in an electrochemical cellJun Huang, Yanxia Chen, Michael Eikerling
The Journal of Chemical Physics|April 15, 2023
Approximating constant potential DFT with canonical DFT and electrostatic correctionsFabiola Domínguez-Flores, Marko M Melander
Journal of Physics. Condensed Matter : an Institute of Physics Journal|September 15, 2021
Modelling electrocatalytic reactions with a concerted treatment of multistep electron transfer kinetics and local reaction conditionsLulu Zhang, Jun Cai, Yanxia Chen, et al.
ACS Catalysis|August 21, 2025
Proton-Relaying Adsorbates Induce Non-Nernstian Behavior in Oxygen ReductionLulu Zhang, Dongchen Zhao, Weiqiang Tang, et al.
Small (Weinheim an Der Bergstrasse, Germany)|January 20, 2025
Hierarchical MoS2@NiFeCo-Mo(doped)-Layered Double Hydroxide Heterostructures as Efficient Alkaline Water Splitting (Photo)Electro-catalystsKayvan Moradi, Maysam Ashrafi, Abdollah Salimi, et al.
Nature Communications|November 22, 2023
Cation-induced changes in the inner- and outer-sphere mechanisms of electrocatalytic CO2 reductionXueping Qin, Heine A Hansen, Karoliina Honkala, et al.
Angewandte Chemie (International Ed. in English)|November 20, 2023
Cations Determine the Mechanism and Selectivity of Alkaline Oxygen Reduction Reaction on Pt(111)Tomoaki Kumeda, Laura Laverdure, Karoliina Honkala, et al.
The Journal of Chemical Physics|June 11, 2025
Simulating iron in oxygen-containing environments: An improved Fe-O interaction for density-functional tight-bindingVille Korpelin, Janne Nevalaita, Marko M Melander, et al.
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