| Band-gap tuning of graphene by Be doping and Be, B co-doping: a DFT study S Ullah, A Hussain, WA Syed, MA Saqlain, I Ahmad, O Leenaerts, A Karim RSC advances 5 (69), 55762-55773, 2015 | 86 | 2015 |
| A DFT+ U study of the Mars Van Krevelen mechanism of CO oxidation on Au/TiO2 catalysts MA Saqlain, A Hussain, M Siddiq, AA Leitão Applied Catalysis A: General 519, 27-33, 2016 | 46 | 2016 |
| Thermally activated surface oxygen defects at the perimeter of Au/TiO 2: a DFT+ U study MA Saqlain, A Hussain, M Siddiq, AR Ferreira, AA Leitão Physical Chemistry Chemical Physics 17 (38), 25403-25410, 2015 | 31 | 2015 |
| DFT Study of Synergistic Catalysis of the Water‐Gas‐Shift Reaction on Cu–Au Bimetallic Surfaces MA Saqlain, A Hussain, DM Siddiq, O Leenaerts, AA Leitão ChemCatChem 8 (6), 1208-1217, 2016 | 19 | 2016 |
| Adsorption of oxygen and CO oxidation on Au/anatase (001) catalysts. A DFT+ U study MA Saqlain, FPN Antunes, A Hussain, M Siddiq, AA Leitão New Journal of Chemistry 41 (5), 2073-2080, 2017 | 14 | 2017 |
| Synergy between Pd and Au in a Pd–Au (100) bimetallic surface for the water gas shift reaction: a DFT study MA Saqlain, A Hussain, M Siddiq, AA Leitão RSC Advances 5 (58), 47066-47073, 2015 | 14 | 2015 |
| Water dissociation and CO oxidation over Au/anatase catalyst. A DFT-D2 study MA Saqlain, A Hussain, M Siddiq, AA Leitao Applied Surface Science 435, 1168-1173, 2018 | 12 | 2018 |
| Structural, electronic, and magnetic properties of non-planar doping of BeO in graphene: a DFT study A Hussain, S Ullah, MA Farhan, MA Saqlain, F Sato New Journal of Chemistry 41 (19), 10780-10789, 2017 | 6 | 2017 |
| Synthesis and characterization of nano heat transfer fluid (NHTF) S Tajammul Hussain, M Adnan Saqlain, M Siddiq Current Nanoscience 8 (2), 232-238, 2012 | 5 | 2012 |
| A DFT Study of Au Based Bimetallic and Supported Catalysts for Application in Hydrogen Production and CO Oxidation MA Saqlain Quaid-i-Azam University Islamabad,, 2017 | | 2017 |
Alexandre Amaral LeitãoDepartamento de Química da UFJFVerified email at ufjf.edu.br
