arXiv subjects

Jens Kunstmann

Publications and source records attributed to Jens Kunstmann.

20 records · Page 2Linked to original sources

arXiv2004

Constricted Boron Nanotubes

The recent discovery of pure boron nanotubes raises questions about their detailed atomic structure. Previous simulations predicted tubular structures with smooth or puckered surfaces. Here, we present some novel results based on ab initio simulations of bundled single-wall zigzag boron nanotubes (ropes). Besides the known smooth and puckered modifications, we found new forms that are radially constricted, and which seem to be energetically superior to the known isomers. Furthermore, those structures might be interpreted as intermediate states between ideal tubular phases and the known bulk phases based on boron icosahedra.

cond-mat.mtrl-sci↗

arXiv2004

Nanotubular Boron-Carbon Heterojunctions

Linear nanotubular boron-carbon heterojunctions are systematically constructed and studied with the help of ab initio total energy calculations. The structural compatibility of the two classes of materials is shown, and a simple recipe that determines all types of stable linear junctions is illustrated in some detail. Our results also suggest the compatibility of various technologically interesting types of nanotubular materials, leading to novel types of nanotubular compound materials, and pointing out the possibility of wiring nanotubular devices within heterogeneous nanotubular networks.

cond-mat.mtrl-sci↗