62 citations · 206 across the 6 of their papers we have counts for
3 papers · 1 filter
Reproducing Reaction Route Map on the Shape Space from its Quotient by Complete Nuclear Permutation-Inversion group
Hiroshi Teramoto, Takuya Saito, Masamitsu Aoki +4
This study develops an algorithm to reproduce reaction route maps (RRMs) in shape space from the outputs of potential search algorithms. To demonstrate this, GRRM is utilized as a…
Lithiation of Silicon Anode based on Soft X-ray Emission Spectroscopy: A Theoretical Study
Andrey Lyalin, Vladimir G. Kuznetsov, Akira Nakayama +5
Due to its exceptional lithium storage capacity silicon is considered as a promising candidate for anode material in lithium-ion batteries (LIBs). In the present work we demonstrat…
Quantum-to-Classical Transition of Proton-Transfer in Electrocatalytic Oxygen Reduction
Ken Sakaushi, Andrey Lyalin, Tetsuya Taketsugu +1
The four-electron oxygen reduction reaction on Pt catalyst in alkaline solution undergoes proton transfer via tunneling mechanism. The hydrogen/deuterium kinetic isotopic rate cons…