The Remarkable Capacities of (6,0) Carbon and Carbon/Boron/Nitrogen Model Nanotubes for Transmission of Electronic Effects.

Autor: Leszcynski, Jerzy, Sokalski, W. Andrzej, Politzer, Peter, Murray, Jane S., Lane, Pat, Concha, Monica C.
Zdroj: Molecular Materials with Specific Interactions - Modeling & Design; 2007, p487-504, 18p
Abstrakt: We have found that at least some (6,0) carbon and carbon/boron/nitrogen model nanotubes possess a remarkable capability for transmitting electronic effects along their full lengths. This can be triggered by even a rather minor asymmetric perturbation at one or both ends of the system. We have analyzed these quite striking effects as they are manifested in the computed electrostatic potentials and local ionization energies on the tube surfaces and, in one instance, in a reorganization of the framework structure. These observations, and some implications, are presented and discussed [ABSTRACT FROM AUTHOR]
Databáze: Supplemental Index