| Theoretical Inspection of M1/PMA Single-Atom Electrocatalyst: Ultra-High Performance for Water Splitting (HER/OER) and Oxygen Reduction Reactions (OER) SH Talib, Z Lu, X Yu, K Ahmad, B Bashir, Z Yang, J Li Acs Catalysis 11 (14), 8929-8941, 2021 | 150 | 2021 |
| Chromium single-atom catalyst with graphyne support: a theoretical study of NO oxidation and reduction SH Talib, S Hussain, S Baskaran, Z Lu, J Li ACS Catalysis 10 (20), 11951-11961, 2020 | 67 | 2020 |
| g‐C3N4/CeO2/Fe3O4 Ternary Composite as an Efficient Bifunctional Catalyst for Overall Water Splitting J Rashid, N Parveen, T Haq, A Iqbal, SH Talib, SU Awan, N Hussain, ... ChemCatChem 10 (24), 5587-5592, 2018 | 56 | 2018 |
| Non-noble metal single-atom catalyst of Co1/MXene (Mo2CS2) for CO oxidation B BASHIR Journal of Energy Chemistry 47, 333, 2020 | 54 | 2020 |
| Non-noble metal single-atom catalysts with phosphotungstic acid (PTA) support: A theoretical study of ethylene epoxidation SH Talib, X Yu, Q Yu, S Baskaran, J Li Science China Materials 63 (6), 1003-1014, 2020 | 48 | 2020 |
| NiCoFe oxide amorphous nanohetrostructres for oxygen evolution reaction MAZG Sial, S Baskaran, A Jalil, SH Talib, H Lin, Y Yao, Q Zhang, H Qian, ... International Journal of Hydrogen Energy 44 (41), 22991-23001, 2019 | 46 | 2019 |
| Facile synthesis of g-C3N4(0.94)/CeO2(0.05)/Fe3O4(0.01) nanosheets for DFT supported visible photocatalysis of 2-Chlorophenol J Rashid, N Parveen, A Iqbal, SU Awan, N Iqbal, SH Talib, N Hussain, ... Scientific reports 9 (1), 10202, 2019 | 35 | 2019 |
| Molybdenum atomic sites embedded 1D carbon nitride nanotubes as highly efficient bifunctional photocatalyst for tetracycline degradation and hydrogen evolution M Mateen, WC Cheong, C Zheng, SH Talib, J Zhang, X Zhang, S Liu, ... Chemical Engineering Journal 451, 138305, 2023 | 33 | 2023 |
| Improved oxygen evolution reaction performance in Co0. 4Mn0. 6O2 nanosheets through Triple-doping (Cu, P, N) strategy and its application to Zn-air battery Y Li, SH Talib, D Liu, K Zong, A Saad, Z Song, J Zhao, W Liu, F Liu, Q Ji, ... Applied Catalysis B: Environmental 320, 122023, 2023 | 31 | 2023 |
| CO oxidation on MXene (Mo2CS2) supported single-atom catalyst: A termolecular Eley-Rideal mechanism SH Talib, Z Lu, B Bashir, S Hussain, K Ahmad, S Khan, S Haider, Z Yang, ... Chinese Chemical Letters 34 (2), 107412, 2023 | 28 | 2023 |
| A polyoxometalate cluster-based single-atom catalyst for NH 3 synthesis via an enzymatic mechanism SH Talib, X Yu, Z Lu, K Ahmad, T Yang, H Xiao, J Li Journal of Materials Chemistry A 10 (11), 6165-6177, 2022 | 28 | 2022 |
| Design of promising single Rh atom catalyst for CO oxidation based on Graphdiyne sheets G Xu, F Liu, Z Lu, SH Talib, D Ma, Z Yang Physica E: Low-dimensional Systems and Nanostructures 130, 114676, 2021 | 20 | 2021 |
| Strain‐induced structure evolution of multimetallic nanoplates A Mahmood, D He, SH Talib, Y He, Z Song, L Zhenbang, D Han, L Niu Advanced Functional Materials 32 (40), 2205223, 2022 | 13 | 2022 |
| In Situ Growth of Interfacially Nanoengineered 2D–2D WS2/Ti3C2Tx MXene for the Enhanced Performance of Hydrogen Evolution Reactions F Rasool, BM Pirzada, SH Talib, T Alkhidir, DH Anjum, S Mohamed, ... ACS applied materials & interfaces 16 (11), 14229-14242, 2024 | 12 | 2024 |
| Intercalation assisted liquid phase production of disulfide zirconium nanosheets for efficient electrocatalytic dinitrogen reduction to ammonia Y Li, H Wang, B Chang, Y Guo, Z Li, SH Talib, Z Lu, J Wang Green Energy & Environment 8 (4), 1174-1184, 2023 | 11 | 2023 |
| Computational screening of M 1/PW 12 O 40 single-atom electrocatalysts for water splitting and oxygen reduction reactions SH Talib, B Ali, S Mohamed, XL Jiang, K Ahmad, A Qurashi, J Li Journal of Materials Chemistry A 11 (30), 16334-16348, 2023 | 10 | 2023 |
| Theoretical design of metal-phthalocyanine dye-sensitized solar cells with improved efficiency K Harrath, S Hussain Talib, S Boughdiri Journal of Molecular Modeling 24, 1-11, 2018 | 10 | 2018 |
| Growth of copper-nickel (Cu-Ni) dual atom catalysts over graphene variants as active anodes for clean oxygen generation: Integrative experimental and computational validation S Musa, BM Pirzada, SH Talib, DH Anjum, MA Haija, S Mohamed, ... Nano Energy 125, 109479, 2024 | 9 | 2024 |
| Computational screening of oxygen and sulfur decorated MXene supported transitions metal single-atom catalysts for hydrogen evolution reaction S Hussain, SH Talib, S Mohamed, R Zhao, A Qurashi, J Li, Z Lu International Journal of Hydrogen Energy 53, 969-978, 2024 | 8 | 2024 |
| Mechanism of Efficient Adsorption of Atoms on Electron-Deficient Doped for Battery Electrodes Y Pang, Z Lu, SH Talib, X Li, M Wang, X Zhang, Z Yang, R Wu Physical Review Applied 18 (3), 034061, 2022 | 8 | 2022 |
