Abstract
Local partial and total densities of states for AgCl nanocrystals with the adsorbed silver ion were calculated by semi-empirical tight-binding method relying on a self-consistent approach for the effective charges and dipole moments of the ions. Adsorption was considered as on the atomically-rough surface (near the step and step fracture) as on the smooth surface. Visualization of the wave functions was performed for the localized states. Basing on the obtained data a conclusion is specifically made that one can expect an enhancement of photoelectron localization with a decrease of the anions number in the substrate nearest to the adsorbed ion. It means that the most efficient trapping of photoelectron should occur under adsorption on a smooth surface rather than near the steps and their fractures as it was assumed previously.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: 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.
