4 papers
First Principle Simulation of Coated Hydroxychloroquine on Ag, Au and Pt Nanoparticle as a Potential Candidate for Treatment of SARS-CoV-2 (COVID-19)
Parham Rezaee, Mahmood Akbari, Razieh Morad +3
The {\it{in vitro}} antiviral activity of Hydroxychloroquine (HCQ) and chloroquine (CQ) against SARS-CoV-2 from the first month of pandemic proposed these drugs as the appropriate…
A new approach to separate hydrogen from carbon dioxide using graphdiyne-like membrane
Parham Rezaee, Hamid Reza Naeij
In order to separate a mixture of hydrogen () and carbon dioxide () gases, we have proposed a new approach employing the graphdiyne-like membrane (GDY-H) using density f…
Modeling of Light Gases Purification and Carbon Dioxide Capture by 1B-3N and 1N-3B Defects
Parham Rezaee, Mohsen Tafazzoli
In this study, we demonstrate that defected h--BN (1B-3N and 1N-3B defects) can be used as a suitable membrane for hydrogen purification and helium separation using density functio…
Graphenylene-1 Membrane: An Excellent Candidate for Hydrogen Purification and Helium Separation
Parham Rezaee, Hamid Reza Naeij
In this study, we use the density functional theory (DFT) calculations and the molecular dynamics (MD) simulations to investigate the performance of graphenylene--1 membrane for hy…