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Journal of Chemical Theory and Computation|February 13, 2026
Electrochemical Potential Fluctuation Matters in Rate Constant Calculations for Proton-Coupled Electron TransferMenglin Sun, Li Fu, Shenzhen XuNature Communications|April 15, 2025
Probing nuclear quantum effects in electrocatalysis via a machine-learning enhanced grand canonical constant potential approachMenglin Sun, Bin Jin, Xiaolong Yang, et al.Journal of Chemical Theory and Computation|May 20, 2026
Electrochemistry-Enhanced Dynamic Path Sampling for Reaction Rate Calculations Considering Nuclear Quantum EffectsLi Fu, Jiayue Han, Yifan Li, et al.The Journal of Physical Chemistry. B|February 26, 2020
Oxidation State of GaP Photoelectrode Surfaces under Electrochemical Conditions for Photocatalytic CO2 ReductionShenzhen Xu, Emily A CarterProceedings of the National Academy of Sciences of the United States of America|October 30, 2019
Optimal functionalization of a molecular electrocatalyst for hydride transferShenzhen Xu, Emily A CarterJournal of the American Chemical Society|June 1, 2019
Balancing Competing Reactions in Hydride Transfer Catalysis via Catalyst Surface Doping: The Ionization Energy DescriptorShenzhen Xu, Emily A CarterChemical Reviews|December 19, 2018
Theoretical Insights into Heterogeneous (Photo)electrochemical CO2 ReductionShenzhen Xu, Emily A CarterJournal of the American Chemical Society|June 15, 2018
2-Pyridinide as an Active Catalytic Intermediate for CO2 Reduction on p-GaP Photoelectrodes: Lifetime and SelectivityShenzhen Xu, Emily A CarterPhysical Chemistry Chemical Physics : PCCP|February 25, 2016
Correction: Ab initio and empirical defect modeling of LaMnO3±δ for solid oxide fuel cell cathodesYueh-Lin Lee, Shenzhen Xu, Dane MorganJournal of the American Chemical Society|November 7, 2018
Why and How Carbon Dioxide Conversion to Methanol Happens on Functionalized Semiconductor PhotoelectrodesShenzhen Xu, Lesheng Li, Emily A CarterPageof 167