| Project title | Research student |
|---|---|
| 2D materials – effect of strain on chemical reactivity and the physics of borophene | Yazeed ALNAFIE |
| Point defects for Quantum Information Processing from First-Principles Calculations | Abdulrahman ALSARHAN |
| Explore the impact of the coordination environment on carbon-supported metal catalysts for green ammonia synthesis. | Jiarong LI |
| Computational Modeling of Novel Materials for Photovoltaic and Photocatalytic Application | Redi Kristian PINGAK |
Publications
Expand all
Journals
- Murthy, P., Conquest, O., Liang, W., Stampfl, C., Huang, J. (2024). An Outlook on the Applications of Ru-Based Nanocatalysts for CO
2 Hydrogenation to CO and CH4 . Energy and Fuels, 38(11), 9339-9364. [More Information] - Kochubei, A., Marianov, A., Conquest, O., Lu, T., Liu, Y., Stampfl, C., Jiang, Y. (2024). Improved charge delivery within a covalently ligated cobalt phthalocyanine electrocatalyst for CO
2 reduction. Journal of Materials Chemistry A. [More Information] - Conquest, O., Roman, T., Marianov, A., Kochubei, A., Jiang, Y., Stampfl, C. (2023). First principles investigation of cobalt-phthalocyanine active site tuning via atomic linker immobilization for CO
2 electroreduction. Journal of Catalysis, 422, 43-55. [More Information]
show 4 more
Expand all
2024
- Murthy, P., Conquest, O., Liang, W., Stampfl, C., Huang, J. (2024). An Outlook on the Applications of Ru-Based Nanocatalysts for CO
2 Hydrogenation to CO and CH4 . Energy and Fuels, 38(11), 9339-9364. [More Information] - Kochubei, A., Marianov, A., Conquest, O., Lu, T., Liu, Y., Stampfl, C., Jiang, Y. (2024). Improved charge delivery within a covalently ligated cobalt phthalocyanine electrocatalyst for CO
2 reduction. Journal of Materials Chemistry A. [More Information]
2023
- Conquest, O., Roman, T., Marianov, A., Kochubei, A., Jiang, Y., Stampfl, C. (2023). First principles investigation of cobalt-phthalocyanine active site tuning via atomic linker immobilization for CO
2 electroreduction. Journal of Catalysis, 422, 43-55. [More Information]
2022
- Conquest, O., Roman, T., Marianov, A., Kochubei, A., Jiang, Y., Stampfl, C. (2022). Ab Initio Investigation of Covalently Immobilized Cobalt-Centered Metal-Organic Catalysts for CO2Reduction: The Effect of the Substrate on the Reaction Energetics. The Journal of Physical Chemistry C, 126(24), 10081-10100. [More Information]
2021
- Conquest, O., Roman, T., Marianov, A., Kochubei, A., Jiang, Y., Stampfl, C. (2021). Calculating Entropies of Large Molecules in Aqueous Phase. Journal of Chemical Theory and Computation, 17(12), 7753-7771. [More Information]
- Marianov, A., Kochubei, A., Roman, T., Conquest, O., Stampfl, C., Jiang, Y. (2021). Modeling and Experimental Study of the Electron Transfer Kinetics for Non-ideal Electrodes Using Variable-Frequency Square Wave Voltammetry. Analytical Chemistry, 93(29), 10175-10186. [More Information]
- Marianov, A., Kochubei, A., Roman, T., Conquest, O., Stampfl, C., Jiang, Y. (2021). Resolving deactivation pathways of Co porphyrin-based electrocatalysts for CO2 reduction in aqueous medium. ACS Catalysis, 11(6), 3715-3729. [More Information]