| First-principles study of lead-free double perovskites K2Pt (Cl/Br) 6 for optoelectronic and renewable energy applications Q Mahmood, T Zelai, T Usman, S Al-Qaisi, M Morsi, H Albalawi, ... Journal of Solid State Chemistry 301, 122294, 2021 | 57 | 2021 |
| GGA and GGA + U Study of Rare Earth-Based Perovskites in Cubic Phase T Usman, G Murtaza, H Luo, A Mahmood Journal of Superconductivity and Novel Magnetism 30, 1389-1396, 2017 | 33 | 2017 |
| Investigation of the structural, electronic, magnetic, and optical properties of CsXO3 (X= Ge, Sn, Pb) perovskites: A first-principles calculations A Ilyas, SA Khan, K Liaqat, T Usman Optik 244, 167536, 2021 | 31 | 2021 |
| Interaction of H2S with perfect and S-covered Ni (110) surface: A first-principles study T Usman, MQ Tan International Journal of Hydrogen Energy 45 (55), 30622-30633, 2020 | 19 | 2020 |
| Adsorption and dissociation of H2S on Rh (100) surface by First-principle study T Usman, H Luo, Y Zhang, X Tao, M Tan Applied Surface Science 425, 367-376, 2017 | 17 | 2017 |
| Electronic and thermoelectric properties of ybmg2x2 (x= p, as, sb, bi) zintl compounds by first-principles method S Khan, R Neffati, T Usman, MW Ahsraf, S Khan, SU Jan, G Murtaza Journal of Rare Earths 42 (1), 147-154, 2024 | 14 | 2024 |
| The induction of half-metallicity and enhanced ferromagnetism in a Cr 2 Ge 2 Te 6 monolayer via electron doping and alkali metal adsorption A Ilyas, H Wu, T Usman, SA Khan, R Deng Journal of Materials Chemistry C 9 (18), 5952-5960, 2021 | 13 | 2021 |
| H2S adsorption and dissociation on Rh(110) surface: a first-principles study T Usman, M Tan Adsorption 24, 563-574, 2018 | 10 | 2018 |
| Thermodynamic Analysis and Calculations of (Fe-Co) Alloy by Modeling and Simulation using Thermo-Calc Software SM Shah, N Ullah, B Ullah, MS Khan, T Usman J. Heterocyclics 1, 35-38, 2018 | 6 | 2018 |
| A First-Principle Calculation and de Haas-van Alphen Effect Simulation in Superconductor LaNiC2 Y Zhang, T Usman, X Tao, M Tan Journal of Superconductivity and Novel Magnetism 31, 995-1003, 2018 | 4 | 2018 |
| First-principles investigation of structural, electronic and thermoelectric properties of SmMg2X2 (X = P, As, Sb, Bi) zintl compounds S Khan, DF Khan, T Usman, H Ullah, G Murtaza, SU Jan, MW Ashraf, ... International Journal of Modern Physics B, 2450437, 2024 | 3 | 2024 |
| First-principles study of structural, electronic, optical and thermoelectric properties of rare earth based perovskites XAlO3 (X= Sm, Eu, Gd) T Usman, SA Khan, S Khan, A Ilyas, K Liaqat, M Hanif Computational and Theoretical Chemistry 1235, 114567, 2024 | 2 | 2024 |
| Electronic, optical, and magnetic properties of defect-engineered 1T-PdS2 monolayer: A first-principles investigation MY Khan, T Usman, A Ilyas, A Hassan, U Younis, A Ullah, SA Ahmad, ... Materials Science in Semiconductor Processing 187, 109144, 2025 | | 2025 |
| Effect of cations on the structural, optoelectronic, and thermoelectric properties of AMg2N2 (A= Yb, Sm, Eu) Zintl compounds; An ab-initio study T Usman, S Khan, G Murtaza, SA Khan, X Li Materials Science in Semiconductor Processing 185, 108963, 2025 | | 2025 |
| Brief review on stab and cut protection materials: Material science physics and applications M Hanif, GQ Zhang, M Mahrukh, T Usman, X Li, X Cao Arabian Journal of Chemistry, 106083, 2024 | | 2024 |
| On the structural, electronic, and thermoelectric properties of EuMg2X2 (X = P, As, Sb, Bi) zintl phase; A first principles investigations S Khan, DF Khan, EA Al-Ammar, H Ullah, T Usman, G Murtaza Zeitschrift für Naturforschung A, 2024 | | 2024 |
| Interaction of H2S with perfect and O-covered Pd (100) surface: A first-principles study T Usman, A Ilyas, SA Khan, S Khan, MA Alotaibi, MQ Tan International Journal of Hydrogen Energy 89, 1231-1240, 2024 | | 2024 |
| A First-Principles Calculation of Electronic Structure and dHvA Simulation of the Novel Superconductor Re6Hf Y Zhang, T Usman, XM Tao, MQ Tan Journal of Superconductivity and Novel Magnetism 31, 1707-1714, 2018 | | 2018 |
