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JTAP-01.10.2023

Journal of Theoretical and Applied Physics (JTAP)

Editor-in-Chief: Davoud Dorranian, PhD

Online ISSN: 2251-7235

Print ISSN: 2251-7227

Publishes Bimonthly

Structural and electronic properties of Li_n, B_n, N_n and O_n (n=1-4) clustering on graphene: Density functional theory calculations with dispersive forces correction

We have performed density functional theory calculations to study the adsorption of Li, B, N, and O clusters on graphene to clarify the interaction of these atoms with a graphene sheet. The stable structure, the adsorption energy, and the density of states (DOS) of atom-graphene systems are calculated. The obtained results of the structural, adsorption […]

Structural and electronic properties of Li_n, B_n, N_n and O_n n=1-4 clustering on graphene Density functional theory calculations with dispersive forces correction
Investigation of carbon monoxide gas adsorption on the Al2O3/Pd(NO3)2/zeolite composite film

AbstractIn this study, Al2O3/Pd(NO3)2/zeolite composite films have been fabricated by roll coating method and characterized by X-ray diffraction, energy-dispersive X-ray spectroscopy and field emission scanning electron microscopy. The gas adsorption was tested in an experimental setup by a continuous gas analyzer KIMO KIGAZ 210 at constant temperature and pressure (32 °C and 1.5 bar) and as a […]