Structural and electrical properties of armchair CdS nanotubes

Abstract

A systematic study of geometrical structures and electrical properties of CdS nanotubes is carried out within the density functional formalism. Geometrical and electrical properties such as wall thickness, curvature, stability, bandgap energies, work functions and charge redistribution analysis are done for CdS nanotubes with varied diameter for understanding their character. It is found that all the tubes remain hollow even after complete relaxation and their work function, bandgap as well as wall thickness decreases with increasing diameter. Some of these findings are in agreement with experimental observation that thermionic emission enhances with decreasing wall thickness of CdS nanotubes.

Tunable structural and electrical properties of zigzag CdS nanotubes: A density functional study

“…). We obtain similar type of variation pattern in case of armchair CdS nanotubes . This trend is consistent with other II–VI compound nanotubes .…”

“…The binding energy per atom in type‐I nanotubes ranges from 2.720 to 2.742 eV (see Table ), on the other hand it varies from 2.321 to 2.341 eV in type‐II nanotubes (see Table ). Comparing these results with that of armchair CdS nanotubes , we find that zigzag CdS nanotubes are relatively more stable than armchair nanotubes. We notice that for both types of nanotubes binding energy per atom increases with increasing diameter and approaches the binding energy of the relevant CdSNS (see Fig.…”

“…14 clearly reflect that for both types of nanotubes work function decreases with increasing tube diameter and approaches the value of corresponding planer sheet. Armchair CdS nanotubes [56] also exhibit similar behavior. In case of type-I nanotube, work function varies from 6.239 to 6.081 eV, while in type-II from 4.911 to 4.679 eV.…”

“…Two dimensional CdS nanosheet (CdSNS) may be constructed with two different kinds of atomic arrangements keeping the Cd to S ratio 1:1 . A type of atomic arrangement where each Cd atom is surrounded by three S atoms and vice verse is designated as type‐I sheet (see Fig.…”

“…As far as theoretical studies are concerned, Husain reported the properties of finite length CdS(4,4) and CdS(4,0) nanotubes and Pan et al studied the properties of various CdS nanowires. In an earlier work, we studied the properties of various armchair CdS nanotubes . However, comprehensive theoretical study of zigzag CdS nanotubes is still lacking.…”