Abstract
Defects in CdSe nanoparticles (NPs) have been studied within the framework of density functional theory (DFT) and time dependent DFT. Both vacancies and substitutional defects were examined and their energy levels as well as their excitations were calculated. The energy gap of the NPs is significantly affected and reduced upon the introduction of Se vacancies, substitution of Cd with either Al, Ga, In, and substitution of Se with either Cl, or Br, or I. This leads to excitations with significantly lower energies compared to chemically and phase pure NPs in a wide range of the visible spectrum. Such derived CdSe NPs may be used in solar cells and biosensing applications.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
More From: IEEE Journal of Selected Topics in Quantum Electronics
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.