Keywords = Adsorption
Influence of Surface Heterogeneities on Complexation of Ethylene with Active Sites of NiMCM-41 Nanocatalyst: A Density Functional Theory Study

Volume 7, Issue 2, June 2019, Pages 235-243

Mehdi Ghambarian; Mohammad Ghashghaee; Zahra Azizi; Mahboobeh Balar

Influence of Surface Heterogeneities on Complexation of Ethylene with Active Sites of NiMCM-41 Nanocatalyst: A Density Functional Theory Study


Proficiency of Graphene Oxide in Adsorption of Zn(II) Ions from Aqueous Solution

Volume 7, Issue 2, June 2019, Pages 295-307

Nkwoada Amarachi Udoka; Conrad Enenebeaku

Proficiency of Graphene Oxide in Adsorption of Zn(II) Ions from Aqueous Solution


Phenol Adsorption from Aqueous Phase onto Prepared Low-cost Carbons from Natural Sources: A Comparative Study

Volume 7, Issue 2, June 2019, Pages 327-346

Ali Ghanadzadeh Gilani; Hossein Ghanadzadeh; Parisa Azmoon; Naz Chaibakhsh

Phenol Adsorption from Aqueous Phase onto Prepared Low-cost Carbons from Natural Sources: A Comparative Study


Molecular Interactions of MeOH and EtOH with Black Phosphorus Monolayer: A Periodic Density Functional Study

Volume 7, Issue 2, June 2019, Pages 435-447

Mehdi Ghambarian; Mohammad Ghashghaee; Zahra Azizi; Mahboobeh Balar

Molecular Interactions of MeOH and EtOH with Black Phosphorus Monolayer: A Periodic Density Functional Study


Pb(II) Removal from Synthetic Wastewater Using Kombucha Scoby and Graphene Oxide/Fe3O4

Volume 6, Issue 4, December 2018, Pages 759-771

Seyyed Mojtaba Mousavi; Seyyed Alireza Hashemi; Ali Mohammad Amani; Hossein Esmaeili; Younes Ghasemi; Aziz Babapoor; Fatemeh Mojoudi; Omid Arjomand

Pb(II) Removal from Synthetic Wastewater Using Kombucha Scoby and Graphene Oxide/Fe3O4


DFT Study of Adsorption of Lithium on Si, Ge-doped Divacancy Defected Graphene as Anode Material of Li-ion Battery

Volume 6, Issue 4, December 2018, Pages 871-878

Mohammad Mohsen Loghavi; Hossein Mohammadi-Manesh; Rahim Eqra; Abdolmajid Ghasemi; Mohsen Babaiee

DFT Study of Adsorption of Lithium on Si, Ge-doped Divacancy Defected Graphene as Anode Material of Li-ion Battery


Adsorption Removal of Humic Acid from Water Using a Modified Algerian Bentonite

Volume 6, Issue 3, September 2018, Pages 613-625

Salim Bousba; Nabil Bougdah; Nabil Messikh; Pierre Magri

Adsorption Removal of Humic Acid from Water Using a Modified Algerian Bentonite


Investigating the Effect of Doping Graphene with Silicon in the Adsorption of Alanine by Density Functional Theory

Volume 6, Issue 3, September 2018, Pages 639-655

roya Ahmadi; Mohammad Reza Jalali Sarvestani

Investigating the Effect of Doping Graphene with Silicon in the Adsorption of Alanine by Density Functional Theory


Coordination and Siting of Cu+ Ion Adsorbed into Silicalite-2 Porous Structure: A Density Functional Theory Study

Volume 5, Issue 1, March 2017, Pages 135-152

Mehdi Ghambarian; Mohammad Ghashghaee; Zahra Azizi

Coordination and Siting of Cu+ Ion Adsorbed into Silicalite-2 Porous Structure: A Density Functional Theory Study


Sensitivity of Perfect and Stone-Wales Defective BNNTs Toward NO Molecule: A DFT/M06-2X Approach

Volume 5, Issue 1, March 2017, Pages 167-183

Hossein Roohi; Mahjobeh Jahantab

Sensitivity of Perfect and Stone-Wales Defective BNNTs Toward NO Molecule: A DFT/M06-2X Approach


A Kinetic Study on Adsorption of Congo Red from Aqueous Solution by ZnO-ZnFe2O4-polypyrrole Magnetic Nanocomposite

Volume 4, Issue 2, June 2016, Pages 291-301

Asma Karamipour; Nahid Rasouli; Maryam Movahedi; Hossein Salavti

A Kinetic Study on Adsorption of Congo Red from Aqueous Solution by ZnO-ZnFe2O4-polypyrrole Magnetic Nanocomposite