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The Journal of Chemical Physics|January 25, 2013
CO oxidation on h-BN supported Au atomMin Gao, Andrey Lyalin, Tetsuya Taketsugu
Chemical Record (New York, N.Y.)|July 30, 2016
When Inert Becomes Active: A Fascinating Route for Catalyst DesignAndrey Lyalin, Min Gao, Tetsuya Taketsugu
Journal of Chemical Theory and Computation|November 19, 2015
Application of Automated Reaction Path Search Methods to a Systematic Search of Single-Bond Activation Pathways Catalyzed by Small Metal Clusters: A Case Study on H-H Activation by GoldMin Gao, Andrey Lyalin, Satoshi Maeda, et al.
Faraday Discussions|March 30, 2012
A computational investigation of H2 adsorption and dissociation on Au nanoparticles supported on TiO2 surfaceAndrey Lyalin, Tetsuya Taketsugu
Physical Review Letters|December 22, 2018
Quantum-to-Classical Transition of Proton Transfer in Potential-Induced Dioxygen ReductionKen Sakaushi, Andrey Lyalin, Tetsuya Taketsugu, et al.
Physical Chemistry Chemical Physics : PCCP|January 23, 2013
Theoretical predictions for hexagonal BN based nanomaterials as electrocatalysts for the oxygen reduction reactionAndrey Lyalin, Akira Nakayama, Kohei Uosaki, et al.
ACS Nano|January 31, 2017
Two-Dimensional Corrugated Porous Carbon-, Nitrogen-Framework/Metal Heterojunction for Efficient Multielectron Transfer Processes with Controlled KineticsKen Sakaushi, Andrey Lyalin, Satoshi Tominaka, et al.
The Journal of Physical Chemistry. A|December 13, 2018
Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu<sub>13</sub>Takeshi Iwasa, Takaaki Sato, Makito Takagi, et al.
ACS Nano|December 3, 2019
Single-Phase Borophene on Ir(111): Formation, Structure, and Decoupling from the SupportNikolay A Vinogradov, Andrey Lyalin, Tetsuya Taketsugu, et al.
Communications Chemistry|April 8, 2025
Enhancing the oxygen evolution reaction by tuning the electrode-electrolyte interface in nickel-based electrocatalystsBen Wang, Tomohiro Fukushima, Hiro Minamimoto, et al.
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