Compression-induced crimping of boron nanotubes from borophenes: a DFT study

• Published in: Physical chemistry chemical physics : PCCP Vol. 24; no. 23; pp. 14566 - 14572
• Main Authors: Qin, Xueqin, Liu, Jia, Mu, Yuewen, Li, Si-Dian
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 15.06.2022
• Subjects: Adsorption; Boron; Borophene; Coils; Folding; Free energy; Hydrogen; Hydrogen evolution; Hydrogen-based energy; Molecular dynamics; Nanotubes; Perturbation

Several borophenes have been prepared successfully, but the synthesis of boron nanotubes is still very difficult. Our results suggest that the high flexibility of borophene in combination with van der Waals interactions makes it possible to coil boron nanotubes from rippled borophenes, which is conf...