Dr Andrew Logsdail
Prosiectau fel Prif Ymchwiliwr
1 o 2
- Combined experimental and computational investigation of polymorphism (01.11.2018 - 30.10.2020)
- Computational investigation of anatase TiO2 surface modification by chloride ions in aqueous solution (01.07.2022 - 30.06.2024)
- Embedded cluster modelling for realistic solid -state systems (01.11.2020 - 31.10.2024)
- Improvements in periodic representation of solvated systems with FHI-aims (01.01.2023 - 31.12.2023)
- Maximising the impact of the new "Python-ChemShell" software package (01.06.2017 - 30.09.2017)
Prosiectau fel Cyd-Ymchwiliwr
- An RGA for the catalytic microreactor, towards operando electron microscopy for catalyst innovation (01.10.2018 - 31.03.2020)
- New trimetallic nanoparticles as catalysts for the conversion of carbon dioxide to renewable fuels (01.10.2019 - 30.06.2024)
- Sustainable Catalysis for Clean Growth (01.11.2021 - 31.10.2026)
- Sustainable Catalysis for Clean Growth (01.11.2021 - 31.10.2026)
Setiau Data Ymchwil
1 o 3
- A structure determination protocol based on combined analysis of 3D-ED data, powder XRD data, solid-state NMR data and DFT-D calculations reveals the structure of a new polymorph of L-tyrosine: data - Smalley CJH, Hoskyns HE, Hughes CE, et al. (2023). Cardiff University. 10.17035/d.2022.0164412918. X-ray Diffraction (Crystal) Crystal structure Solid-state NMR Electron Diffraction
- Data for: A computational study of direct CO2 hydrogenation to methanol on Pd surfaces - Kowalec I, Kabalan L, Catlow CRA, et al. (2022). Cardiff University. 10.17035/d.2022.0164034480. Heterogeneous Surfaces Nanoparticles for Catalysis Catalytic Hydrogenation
- Data for: A Computational Study of the Properties of Pd, Cu and Zn Surfaces - Kabalan L, Kowalec I, Catlow CRA, et al. (2021). Cardiff University. 10.17035/d.2021.0133038780. Surfaces and Interfaces Heterogeneous Surfaces Nanoparticles for Catalysis
- Data for "Computational QM/MM investigation of the adsorption of MTH active species in H-Y and H-ZSM-5" - Nastase SA, O'Malley A, Catlow CRA, et al. (2019). Cardiff University. 10.17035/d.2018.0065325466. Hydrocarbon Transformations Catalysis and Applied Catalysis Microporous Catalytic Materials
- Data for "Mechanistic insight into the framework methylation of H-ZSM-5 for varying methanol loading and Si/Al ratio using first principles molecular dynamics simulations" - Logsdail A, Nastase SA, Catlow CRA (2020). Cardiff University. 10.17035/d.2020.0111777454. Zeolite Catalysts
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