| Co–Cu bimetallic metal organic framework catalyst outperforms the Pt/C benchmark for oxygen reduction MF Sanad, AR Puente Santiago, SA Tolba, MA Ahsan, ... Journal of the American Chemical Society 143 (10), 4064-4073, 2021 | 194 | 2021 |
| The DFT+ U: Approaches, Accuracy, and Applications SA Tolba, KM Gameel, BA Ali, HA Almossalami, NK Allam Density Functional Calculations: Recent Progresses of Theory and Application, 1, 2018 | 131 | 2018 |
| Novel Bi-based photocatalysts with unprecedented visible light-driven hydrogen production rate: Experimental and DFT insights MA Hamza, AN El-Shazly, SA Tolba, NK Allam Chemical Engineering Journal 384, 123351, 2020 | 54 | 2020 |
| In situ formation of graphene stabilizes zero-valent copper nanoparticles and significantly enhances the efficiency of photocatalytic water splitting MM Hasan, SA Tolba, NK Allam ACS Sustainable Chemistry & Engineering 6 (12), 16876-16885, 2018 | 33 | 2018 |
| Computational design of novel hydrogen-doped, oxygen-deficient monoclinic zirconia with excellent optical absorption and electronic properties SA Tolba, NK Allam Scientific Reports 9 (1), 10159, 2019 | 30 | 2019 |
| On the relationship between rutile/anatase ratio and the nature of defect states in sub-100 nm TiO 2 nanostructures: experimental insights MM Soliman, MH Al Haron, M Samir, SA Tolba, BS Shaheen, AW Amer, ... Physical Chemistry Chemical Physics 20 (8), 5975-5982, 2018 | 22 | 2018 |
| Comparison between hydrogen production via H2S and H2O splitting on transition metal-doped TiO2 (101) surfaces as potential photoelectrodes SA Tolba, I Sharafeldin, NK Allam International Journal of Hydrogen Energy 45 (51), 26758-26769, 2020 | 18 | 2020 |
| Design and construction of an O-Au-O coordination environment in Au single atom-doped Ti4+ defected TiO2 for an enhanced oxidative ability of lattice oxygen for Hg0 oxidation Z Guo, G Jing, SA Tolba, CS Yuan, YH Li, X Zhang, Z Huang, H Zhao, ... Chemical Engineering Journal 451, 138895, 2023 | 16 | 2023 |
| Molecular Structure and Conformational Design of Donor‐Acceptor Conjugated Polymers to Enable Predictable Optoelectronic Property Z Cao, SA Tolba, Z Li, GT Mason, Y Wang, C Do, S Rondeau‐Gagné, ... Advanced Materials 35 (41), 2302178, 2023 | 9 | 2023 |
| Ni-free, built-in nanotubular drug eluting stents: Experimental and theoretical insights AM Soliman, SA Tolba, IM Sharafeldin, MAH Gepreel, NK Allam Materials Science and Engineering: C 103, 109750, 2019 | 8 | 2019 |
| Probing single-chain conformation and its impact on the optoelectronic properties of donor–accepter conjugated polymers Z Cao, Z Li, SA Tolba, GT Mason, M Xiong, MU Ocheje, A Alesadi, C Do, ... Journal of Materials Chemistry A 11 (24), 12928-12940, 2023 | 7 | 2023 |
| Unveiling the role of carbon defects in the exceptional narrowing of m-ZrO2 wide-bandgap for enhanced photoelectrochemical water splitting AH Biby, SA Tolba, NK Allam International Journal of Hydrogen Energy 46 (41), 21499-21511, 2021 | 7 | 2021 |
| Molecular insights into the hydration of zwitterionic polymers SA Tolba, W Xia Molecular Systems Design & Engineering 8 (8), 1040-1048, 2023 | 5 | 2023 |
| A portable elliptical dichroism spectrometer targeting secondary structural features of tumorous protein for pancreatic cancer detection A Bauer, S Elamurugan, SA Tolba, E Nega, IT Lima Jr, W Xia, D Sun Biosensors and Bioelectronics 222, 114934, 2023 | 2 | 2023 |
| Chapter One - Electronic structure and density functional theory WX Fatima, Yangchao Liao, Sara A. Tolba, Luis Alberto Ruiz Pestana Fundamentals of Multiscale Modeling of Structural Materials, 3-35, 2023 | 2 | 2023 |
| Chapter Six - Machine learning in materials modeling and design WX Kamrun N. Keya, Amara Arshad, Sara A. Tolba, Wenjian Nie, Amirhadi ... Fundamentals of Multiscale Modeling of Structural Materials, 203-236, 2023 | 1* | 2023 |
| Ice Nucleation and Zwitterionic Polymers: Ab Initio Investigations of Molecular Interactions S Tolba, W Xia Bulletin of the American Physical Society, 2024 | | 2024 |
