2001/03/06 by Alexander Quandt, Quandt, Alexander, Amy Liu +4
Materials Science · Physics and Astronomy · #Boron and Carbon Nanomaterials Research #FOS: Physical sciences #Graphene research and applications #MXene and MAX Phase Materials #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.cond-mat/0103141
arxiv created 2001/03/06 · openalex publication_date 2001/03/06 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Nanotubular materials inspired by crystalline diborides such as AlB2 are proposed. The atomic structure, in particular the basic chemical question of where to put Al atoms in order to stabilize nanotubular Al-B systems, is investigated using density-functional calculations for prototype systems. The optimized tubular prototypes are found to be competitive in energy with their bulk crystalline counterparts. All of the tubular Al-B systems investigated are calculated to be metallic.