Compression-induced crimping of boron nanotubes from borophenes: a DFT study - Qin, Xueqin; Liu, Jia; Mu, Yuewen; Li, Si-Dian (Physical chemistry chemical physics : PCCP, 2022)
Keywords: Adsorption; Boron; Borophene; Coils; Folding; Free energy; Hydrogen; Hydrogen evolution; Hydrogen-based energy; Molecular dynamics; Nanotubes; Perturbation