Main Subjects = New materials: Theory, Design, and Fabrication (simulation and modeling)
Physical Properties of Electrode Materials of Rechargeable Lithium Ion Batteries via DFT Calculations

Volume 4, Issue 2, July 2024, Pages 165-169

10.22075/ppam.2024.34656.1108

Zeinab Saeedi Pour; Jaafar Jalilian; Seiyed Hamid Reza Shojaei


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

10.22075/ppam.2023.31332.1060

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

10.22075/ppam.2022.25847.1021

Seiyed Hamid Reza Shojaei; Mahmoud Oloumi