| Computational modeling of green hydrogen generation from photocatalytic H2S splitting: Overview and perspectives Y Li, D Bahamon, M Sinnokrot, K Al-Ali, G Palmisano, LF Vega Journal of Photochemistry and Photobiology C: Photochemistry Reviews 49, 100456, 2021 | 30 | 2021 |
| Interfacial anomaly in low global warming potential refrigerant blends as predicted by molecular dynamics simulations Y Li, WA Fouad, LF Vega Physical Chemistry Chemical Physics 21 (39), 22092-22102, 2019 | 29 | 2019 |
| Computational screening of transition metal-doped CdS for photocatalytic hydrogen production Y Li, D Bahamon, M Sinnokrot, LF Vega npj Computational Materials 8 (1), 229, 2022 | 23 | 2022 |
| Theoretical study of the structure and properties of Ni/V porphyrins under microwave electric field: A DFT study Y Li, H Shang, Q Zhang, M Elabyouki, W Zhang Fuel 278, 118305, 2020 | 23 | 2020 |
| Unprecedented photocatalytic conversion of gaseous and liquid CO2 on graphene-impregnated Pt/Cu-TiO2: The critical role of Cu dopant S Al Jitan, Y Li, D Bahamon, G Žerjav, VS Tatiparthi, C Aubry, M Sinnokrot, ... Journal of Environmental Chemical Engineering 11 (2), 109485, 2023 | 10 | 2023 |
| Insights into the mechanisms of H2S adsorption and dissociation on CdS surfaces by DFT-D3 calculations Y Li, D Bahamon, M Sinnokrot, LF Vega International Journal of Hydrogen Energy 48 (26), 9700-9712, 2023 | 8 | 2023 |
| Systematic screening of transition-metal-doped hydroxyapatite for efficient photocatalytic CO2 reduction Y Li, D Bahamon, J Albero, N López, LF Vega Journal of CO2 Utilization 80, 102692, 2024 | 1 | 2024 |
| Machine Learning-Assisted Prediction of Proton Permeation Barriers in 2D Materials Y Li, D Bahamon, LF Vega I2DMSUMMIT2024, 2024 | | 2024 |
| Computational High-Throughput Study of Hydrogen Permeation through Two-Dimensional Structures for Use As Proton-Conducting Membranes Y Li, D Bahamon, J Almarri, N Singh, M Lozada-Hidalgo, AK Geim, ... 2023 AIChE Annual Meeting, 2023 | | 2023 |
| DFT Screening of Transition Metal-Doped CdS Catalysts for Green Hydrogen Production By H2s and H2o Splitting Y Li, D Bahamon, M Sinnokrot, L Vega 2022 AIChE Annual Meeting, 2022 | | 2022 |
| DFT Insights into Photocatalytic H2s Splitting over Metal Sulfide Photocatalysts for Green Hydrogen Generation Y Li, D Bahamon, M Sinnokrot, K Al-Ali, L Vega 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Thermophysical, Interfacial and Transport Properties of Low Global Warming Potential Refrigerants from Molecular Theory and Simulations WA Fouad, Y Li, L Vega 2018 AIChE Annual Meeting, 2018 | | 2018 |
Daniel Bahamon GarciaSenior Research Scientist, Khalifa University of Science & TechnologyVerified email at ku.ac.ae