8 citations · 14 across the 9 of their papers we have counts for
3 papers · 1 filter
Peculiar atomic bond nature in platinum monatomic chains
Jiaqi Zhang, Keisuke Ishizuka, Masahiko Tomitori +5
Metal atomic chains have been reported to change their electronic or magnetic properties by slight mechanical stimulus. However, the mechanical response has been veiled because of…
Importance of van der Waals interactions in hydrogen adsorption on a silicon-carbide nanotube revisited with vdW-DFT and quantum Monte Carlo
Genki I. Prayogo, Hyeondeok Shin, Anouar Benali +2
DFT is a valuable tool for calculating adsorption energies toward designing materials for hydrogen storage. However, dispersion forces being absent from the theory, it remains uncl…
High- ternary metal hydrides, YKH and LaKH, discovered by machine learning
Peng Song, Zhufeng Hou, Pedro Baptista de Castro +4
The search for hydride compounds that exhibit high superconductivity has been extensively studied. Within the range of binary hydride compounds, the studies have been develop…