Abstract
Group V substituted zeolites were characterized using periodic DFT. It is found that the group V sites in zeolite materials become more hydrophobic and less reducible descending the column of the Period Table. The stable site with T O group for T = V, transforms into a site with T–OH group for T = Ta. For niobium both sites (Nb–OH and Nb O) are in competition with each other. The presence of Lewis acid base pairs is predicted in Nb and Ta dehydrated zeolites.
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.
