Keywords = density functional theory
The Effects of Double-Antisite Defect on the Improvement of HCN Sensing by BN Nanotube: A DFT Study

Volume 1399, Special Letter to the Fourth Conference on Applied Chemistry in Iran, August 1998, 2020, Pages 34-38


Aidin Bahrami

Effect of Lithium Doping on Hydrogen Adsorption of Defected Graphene: A First-Principles Sudy

Volume 10, Issue 37, December 2015, Pages 63-70


Elnaz Eisapour; Seyed Majid Hashemianzadeh; Sepideh Ketabi