Computational chemistry
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- Computational insights into the photovoltaic potential of zinc diphosphides - dataset - Živković A, Farkaš B, Dzade NY, et al. (2018). Cardiff University. 10.17035/d.2018.0054381131. Computational chemistry Materials Sciences Quantum mechanics Photovoltaic Devices Photovoltaic Materials
- Enhanced photocatalytic activity of N, P, co-doped carbon quantum dots: an insight from experimental and computational approach - data - Yashwanth HJ, Rondiya SR, Dzade NY, et al. (2020). Cardiff University. 10.17035/d.2020.0112140691. Photocatalysis Computational chemistry
- Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li1-xMn2O4 spinel (0.000 < x < 0.375) - data - Ramogayana B, Santos Carballal D, Aparicio Sanchez P, et al. (2019). Cardiff University. 10.17035/d.2019.0085116020. Lithium-Ion batteries Computational chemistry Materials Sciences Catalyst Surface Reactivity
- First-principles DFT Insights into the Adsorption of Hydrazine on Bimetallic β1-NiZn Catalyst: Implications for Direct Hydrazine Fuel Cells - data - Cross RW, Rondiya SR, Dzade NY (2020). Cardiff University. 10.17035/d.2020.0115779666. Computational chemistry
- First-principles DFT Insights into the Stabilization of Zinc Diphosphide (ZnP2) Nanocrystal via Surface Functionalisation by 4-Aminothiophenol for Photovoltaic Applications - data - Farkas B, Živković A, Dzade NY, et al. (2022). Cardiff University. 10.17035/d.2022.0153128458. Photovoltaic Systems Computational chemistry