Th e relations hip study of numbe r of carb on and m olecular diameter with quantum des criptors in some cha iral carb on nanotubes

The study of the properties of carbon nanotubes and thair applications has yielded many highly useful and effective r esults in different area s of science. It was i ntroduced by the chemist H. Wiener about ۶۰ years ago to demonstrate correlations between the ph ysico-chemical properti es of organi c compounds and the structures indices of their molecular gr aphs. Altho ugh many n ano-scale m aterials oc cur regularly in applica tions, man y nanotubes with well-defined characteristics have not yet been produ ced under controlled conditions. In this study the relation ship betwee n structural indices of chiral carbon nanotubes with the qua ntum descriptors are pre sented and discussed.

کلیدواژه ها:

Chira l carbon nanotube ، Quantum mechanic calculation ، HO MO-LUMO gap band.