Author = Behjatmanesh-Ardakani*,%20Reza
DFT Study on Oxygen-Vacancy Stability in Rutile/Anatase TiO2: Effect of Cationic Substitutions

Volume 6, Issue 3, September 2018, Pages 547-563

Seyed Mahmoud Esfandfard; Mohammad Reza Elahifard; Reza Behjatmanesh-Ardakani; Hadi Kargar

DFT Study on Oxygen-Vacancy Stability in Rutile/Anatase TiO2: Effect of Cationic Substitutions


DFT Study of N-hydroxyurea Adsorption Behavior onto Pristine and Iron-doped Single-walled Carbon Nanotube

Volume 6, Issue 1, March 2018, Pages 115-132

Maryam Hesabi; Reza Behjatmanesh-Ardakani*

DFT Study of N-hydroxyurea Adsorption Behavior onto Pristine and Iron-doped Single-walled Carbon Nanotube


The Effect of Cu Impurity on the CO-dissociation Mechanism on the Fe (100) Surface: A Full Potential DFT Study

Volume 5, Issue 4, December 2017, Pages 831-839

Maryam Farsad; MohammadReza Elahifard; Reza Behjatmanesh-Ardakani

The Effect of Cu Impurity on the CO-dissociation Mechanism on the Fe (100) Surface: A Full Potential DFT Study