Main Subjects = New materials: Theory, Design, and Fabrication (simulation and modeling)
Investigation of CO2 and N2 adsorption on pristine and oxidized γ-graphyne using density functional theory (DFT): A First-principles analysis

Volume 3, Issue 1, November 2023, Pages 73-81


Behnam Behrooz; Amirhossein Ahmadkhan Kordbacheh; Seyed Majid Hashemianzadeh; Mehran Minbashi; Mahboobeh Zahedifar

First–Principles Calculations of Band Offsets in GaAs/AlAs System

Volume 2, Issue 1, November 2022, Pages 71-75


Seiyed Hamid Reza Shojaei; Mahmoud Oloumi