1. Adsorption of oxygen and CO oxidation on Au/anatase(001) catalysts. A DFT+U study. (6th February 2017) Authors: Saqlain, Muhammad Adnan; Novais Antunes, Florence P.; Hussain, Akhtar; Siddiq, Muhammad; Leitão, Alexandre A. Journal: New journal of chemistry Issue: Volume 41:Number 5(2017) Page Start: 2073 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Band-gap tuning of graphene by Be doping and Be, B co-doping: a DFT study. Issue 69 (29th July 2015) Authors: Ullah, Saif; Hussain, Akhtar; Syed, WaqarAdil; Saqlain, Muhammad Adnan; Ahmad, Idrees; Leenaerts, Ortwin; Karim, Altaf Journal: RSC advances Issue: Volume 5:Issue 69(2015) Page Start: 55762 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. DFT Study of Synergistic Catalysis of the Water‐Gas‐Shift Reaction on Cu–Au Bimetallic Surfaces. Issue 6 (25th February 2016) Authors: Saqlain, Muhammad Adnan; Hussain, Akhtar; Siddiq, Dr Muhammad; Leenaerts, Ortwin; Leitão, Alexandre A. Journal: ChemCatChem Issue: Volume 8:Issue 6(2016) Page Start: 1208 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Structural, electronic, and magnetic properties of non-planar doping of BeO in graphene: a DFT study. (31st August 2017) Authors: Hussain, Akhtar; Ullah, Saif; Farhan, M. Arshad; Saqlain, Muhammad Adnan; Sato, Fernando Journal: New journal of chemistry Issue: Volume 41:Number 19(2017) Page Start: 10780 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Synergy between Pd and Au in a Pd–Au(100) bimetallic surface for the water gas shift reaction: a DFT study. Issue 58 (25th June 2015) Authors: Saqlain, Muhammad Adnan; Hussain, Akhtar; Siddiq, Muhammad; Leitão, Alexandre A. Journal: RSC advances Issue: Volume 5:Issue 58(2015) Page Start: 47066 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Thermally activated surface oxygen defects at the perimeter of Au/TiO2: a DFT+U study. Issue 38 (11th September 2015) Authors: Saqlain, Muhammad Adnan; Hussain, Akhtar; Siddiq, Mohammad; Ferreira, Ary R.; Leitão, Alexandre A. Journal: Physical chemistry chemical physics Issue: Volume 17:Issue 38(2015) Page Start: 25403 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗