V. Nagarajan

Influence of Oxygen, Tellurium, and Zinc Substitution on CdSe Nanoribbon: A First-Principles Investigation

The electronic transport property and band structure of pure cadmium selenide, oxygen, tellurium, and zinc substituted CdSe nanoribbon and defect structured CdSe nanoribbon are studied using density functional theory. The band structure of pure, oxygen, tellurium, and zinc substituted CdSe nanoribbon and defect structured nanoribbon shows a metallic behavior. The localization of charges in the valence band and conduction band is analyzed by the density of states spectrum. The electronic transport properties of CdSe nanoribbon are investigated in terms of transmission spectrum. The transmission can be modified with the substitution impurities such as oxygen, tellurium and zinc in the nanostructure.