147 citations · 602 across the 13 of their papers we have counts for
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cond-mat.mtrl-sci2021★ 8 cited
Comprehensive understanding of H adsorption on MoO3 from systematic ab initio simulations
Yuji Ikeda, Deven Estes, Blazej Grabowski
During many of its applications (especially as a catalyst support material), MoO3 acts as a medium for hydrogen storage via hydrogen spillover (H atom donation from proton and elec…
cond-mat.mtrl-sci2021★ 65 cited
Dissecting functional degradation in NiTi shape-memory-alloys containing amorphous regions via atomistic simulations
Won-Seok Ko, Won Seok Choi, Guanglong Xu +3
Molecular dynamics simulations are performed to provide a detailed understanding of the functional degradation of shape memory alloys at small scale. The origin of the experimental…