Abstract
ABSTRACTThe focus of this study is on the adsorption properties of the nanocrystalline materials and SnO2 has been chosen as the appropriate example. Therefore model structures consisting on SnO2 grains with a rutile lattice and a size comparable with the experimental ones have been considered and the adsorbed system is generated by depositing a CO molecule above a tin or oxygen atom on the grain surface. The calculations, based on semi-empirical Hartree-Fock and scattering theories, illustrate the dependence of the binding and adsorption energies of grains on their size and shape and show the effects of these energies on the grain conductance.
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.
