A complete ab initio thermodynamic and kinetic catalogue of the defect chemistry of hematite α-Fe 2 O 3, its cation diffusion, and sample donor dopants S Shousha, S Khalil, M Youssef Physical Chemistry Chemical Physics 23 (45), 25518-25532, 2021 | 8 | 2021 |
Tuning metal oxide defect chemistry by thermochemical quenching S Shousha, S Khalil, M Youssef Physical Chemistry Chemical Physics 22 (11), 6308-6317, 2020 | 6 | 2020 |
Maximizing the electronic charge carriers in donor-doped hematite under oxygen-rich conditions via doping and co-doping strategies revealed by density functional theory … H El-Gibally, S Shousha, NK Allam, M Youssef Journal of Applied Physics 131 (15), 2022 | 5 | 2022 |
Magnetism and finite-temperature effects in UZr2: A density functional theory analysis S Shousha, B Beeler Journal of Nuclear Materials 595, 155037, 2024 | | 2024 |
Vacancy-mediated transport and segregation tendencies of solutes in FCC nickel under diffusional creep: A density functional theory study S Shousha, SB Kadambi, B Beeler, B Kombaiah arXiv preprint arXiv:2405.00639, 2024 | | 2024 |