Elucidating the Structural, Electronic, Elastic, and Optical Properties of Bulk and Monolayer MoS2 Transition-Metal Dichalcogenides: A DFT Approach SA Yamusa, A Shaari, NAM Alsaif, IM Alsalamah, I Isah, N Rekik ACS omega 7 (49), 45719-45731, 2022 | 22 | 2022 |
Ab’initio studies of the structural and electronic properties for single-walled armchair MgONT, SiCNTs and ZnONTs for next generations’ optoelectronics: Ab’initio studies of … YS Itas, AB Suleiman, AS Yamusa, R Razali, AM Danmadami Gadau Journal of Pure and Allied Sciences 1 (2), 160-165, 2022 | 16 | 2022 |
Studies of H2 storage efficiency of metal-doped carbon nanotubes by optical adsorption spectra analysis YS Itas, MU Khandaker, AB Suleiman, CE Ndikilar, A Lawal, R Razali, ... Diamond and Related Materials 136, 109964, 2023 | 14 | 2023 |
Effects of exchange correlation functional (Vwdf3) on the structural, elastic, and electronic properties of transition metal dichalogenides SA Yamusa, A Shaari, I Isah, UB Ibrahim, SI Kunya, S Abdulkarim, YS Itas, ... Journal of the Nigerian Society of Physical Sciences, 1094-1094, 2023 | 11 | 2023 |
Structural stability, Electronic and Optical Properties of Bulk MoS2 Transition Metal Dichalcogenides: A DFT Approach SA Yamusa, A Shaari, I Isah J. Appl. Phys 14, 40, 2022 | 9 | 2022 |
Exploring the candidacy of Mo (1− x) Ax X2 (A=[Cr, Ta], X= S) for photodetection solicitations: Showcasing the DFT predictions of the structural, elastic, and optoelectronic … SA Yamusa, A Shaari, NAM Alsaif, IM Alsalamah, G Lakshminarayana, ... Physica B: Condensed Matter 661, 414905, 2023 | 6 | 2023 |
First-principles study on the structural, electronic, and elastic properties of transition metal dichalcogenides SA Yamusa, A Shaari, I Isah, B Farzan, M Ismail, ST Ahams, YS Itas Phys. Access 3, 133, 2023 | 4 | 2023 |
Enhanced DFT predictions of the structural and optoelectronic properties of MoTe2 for high performance photodetection: Application to GW-based functionals and Hubbard U and V … SA Yamusa, A Shaari, NAM Alsaif, N Rekik, G Lakshminarayana, I Isah, ... Chemical Physics 573, 112018, 2023 | 3 | 2023 |
Exploring the structural properties and the optoelectronic features of RbPbX3 (X= Cl, F) perovskite crystals for solar cells solicitations: Showcasing the DFT predictions. IM Alsalamah, A Shaari, NAM Alsaif, SA Yamusa, G Lakshminarayana, ... Chemical Physics 573, 111978, 2023 | 3 | 2023 |
Effect of Doping Concentration on STRUCTURAL Stability and Formation Energy of the Fluorine Doped Hexagonal Molybdenum Dioxide (). A First Principle Study YA Tanko, A Shuaibu, A Abdulrahman, OP Olusola, M Isa, AS Yamusa A First Principle Study, 2021 | 3 | 2021 |
Tailoring the optoelectronic properties of MoS2 for broadband photodetection: Showcasing an Ab-into study involving the quasi-particle correction within the Green’s function … SA Yamusa, A Shaari, NAM Alsaif, N Rekik, A Alshehab, R Razali, I Isah Computational Condensed Matter 39, e00912, 2024 | | 2024 |
Compilation and deciphering MoS2’s physical properties: Accurate benchmark DFT simulations and assessment of advanced quantum methods N Rekik, I Isah, NAM Alsaif, M Alkadi, SA Yamusa, IM Alsalamah, A Shaari, ... Chemical Physics 580, 112229, 2024 | | 2024 |