| Electronic and photocatalytic performance of boron phosphide-blue phosphorene vdW heterostructures I Shahid, S Ahmad, N Shehzad, Y Sai, CV Nguyen, L Zhang, Z Zhou Applied Surface Science, 146483, 2020 | 96 | 2020 |
| A first-principles study of electronic structure and photocatalytic performance of two-dimensional van der Waals MTe2–As (M= Mo, W) heterostructures N Shehzad, I Shahid, S Yao, S Ahmad, A Ali, L Zhang, Z Zhou International Journal of Hydrogen Energy 45 (51), 27089-27097, 2020 | 43 | 2020 |
| Two dimensional MoSSe/BSe vdW heterostructures as potential photocatalysts for water splitting with high carrier mobilities I Shahid, A Ali, JM Zhang, I Muhammad, I Ahmad, F Kabir International Journal of Hydrogen Energy 46 (27), 14247-14258, 2021 | 34 | 2021 |
| Influence of strain on specific features of MoX2 (X = S, Se, Te) monolayers I Ahmad, SA Khan, M Idrees, M Haneef, I Shahid, HU Din, SA Khan, ... Physica B: Condensed Matter, 2018 | 33 | 2018 |
| Electronic, mechanical, optical and photocatalytic properties of two-dimensional Janus XGaInY (X, Y;= S, Se and Te) monolayers I Ahmad, I Shahid, A Ali, L Gao, J Cai RSC Advances 11 (28), 17230-17239, 2021 | 26 | 2021 |
| First-principles investigation on electronic structure, magnetic states and optical properties of Mn-doped SnS2 monolayer via strain engineering A Ali, JM Zhang, I Muhammad, I Shahid, I Ahmad, MU Rehman, I Ahmad, ... Physica E: Low-dimensional Systems and Nanostructures, 114842, 2021 | 24 | 2021 |
| Modulating the electronic, magnetic and optical properties of 1T-SnSe2 monolayer by defects: An ab initio study A Ali, JM Zhang, I Muhammad, I Shahid, I Ahmad Superlattices and Microstructures, 106621, 2020 | 22 | 2020 |
| Tailoring the electronic and optical properties of ZrS2/ZrSe2 vdW heterostructure by strain engineering JM Zhang, XY Gao, XM Wei, YH Huang, A Ali, I Shahid Thin Solid Films, 139332, 2022 | 17 | 2022 |
| Theoretical study on the electronic structure, optical and photocatalytic properties of type-II As/CdO van der Waals heterostructure A Ali, JM Zhang, I Shahid, I Muhammad, I Ahmad, F Kabir Physica E: Low-dimensional Systems and Nanostructures, 114888, 2021 | 15 | 2021 |
| The van der Waals CdO/PtS 2 heterostructures for photocatalytic water splitting with excellent carrier separation and light absorption I Ahmad, I Shahid, A Ali, S Zeb, L Gao, J Cai New Journal of Chemistry, 2021 | 14 | 2021 |
| Two dimensional Janus SGaInSe (SeGaInS)/PtSe2 van der Waals heterostructures for optoelectronic and photocatalytic water splitting applications I Ahmad, I Shahid, A Ali, Z Ruan, C Yan, J Ali, L Gao, J Cai International Journal of Hydrogen Energy 47 (67), 28833-28844, 2022 | 12 | 2022 |
| Theoretical perspective on the electronic structure and optoelectronic properties of type-II SiC/CrS2 van der Waals heterostructure with high carrier mobilities A Ali, JM Zhang, I Muhammad, I Shahid, Y Huang, X Wei, F Kabir Journal of Physics: Condensed Matter, 2021 | 12 | 2021 |
| High thermoelectric performance of two-dimensional SiPGaS/As heterostructures I Shahid, X Hu, I Ahmad, A Ali, N Shehzad, S Ahmad, Z Zhou Nanoscale, 2023 | 11 | 2023 |
| Efficient electrocatalysts of single metal atom supported on defective graphene for oxygen reduction reaction (ORR): A first principles study R Zhang, N Shehzad, L Zhang, A Ali, B Amin, I Shahid Chemical Physics 570, 111888, 2023 | 9 | 2023 |
| Enhanced visible-light-driven photocatalytic activity in SiPGaS/arsenene-based van der Waals heterostructures A Ali, I Shahid, I Ahmad, B Lu, H Zhang, W Zhang, PKJ Wong iScience, 108025, 2023 | 8 | 2023 |
| Two-dimensional van der Waals heterostructures (vdWHs) with band alignment transformation in multi-functional devices N Shehzad, S Saeed, I Shahid, I Khan, I Saeed, JA Zapien, L Zhang RSC Advances 12 (48), 31456-31465, 2022 | 5 | 2022 |
| First principles study of optoelectronic and photocatalytic performance of novel transition metal dipnictide XP 2 (X= Ti, Zr, Hf) monolayers S Ahmad, I Shahid, N Shehzad, W Khan, HU Din, M Idrees, B Amin, ... RSC advances 12 (18), 11202-11206, 2022 | 4 | 2022 |
| Investigating the synergistic effect of sulfur and nitrogen co-doping in graphene for enhanced CO2 reduction to CO: A computational study R Zhang, N Shehzad, L Zhang, B Amin, I Shahid Diamond and Related Materials, 110310, 2023 | 3 | 2023 |
| The versatile characteristics of Ars/SGaInS van der Waals heterostructures I Ahmad, A Ali, I Shahid, R Ali, W Xiong, L Gao, J Cai Physical Chemistry Chemical Physics, 2023 | 3 | 2023 |
| Very High-Capacity Li/Na-Ion battery anodes Enabled by Blue phosphorene and boron phosphide vdW heterostructure I Shahid, X Zhang, N Muhammad, A Ali, I Ahmad, V Tirth, D Tang Computational Materials Science 246, 113467, 2025 | 1 | 2025 |