skip to main content
Menu
ijc-19.01.2024-3

Iranian Journal of Catalysis (IJC)

Editor-in-Chief: Prof. Ahmad Reza Massah

Online ISSN: 2345-4865

Print ISSN: 2252-0236

Publishes Quarterly

Original Article
Surface modification of γ-alumina by NaNO2, NaNO3, HNO2, HNO3 and H2SO4: A DFT-D approach

In this study, the dissociative adsorption of NaNO2, NaNO3, HNO2, HNO3 and H2SO4 over (1 1 0) surface of γ-alumina non-spinel model were investigated through the dispersion corrected density functional theory (DFT-D) at PBE-D/DNP level of calculation. It was found that all of the species are dissociated to their ionic forms after adsorption and relaxation […]