Computational chemistry
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- Thermal properties and segregation behaviour of Pt nanowires modified with Au, Ag and Pd atoms: A Classical Molecular Dynamics Study - data - Gambu TG, Terranova U, Santos-Carballal D, et al. (2019). Cardiff University. 10.17035/d.2019.0077930441. Computational chemistry Heterogeneous Surfaces
- Thermoluminescence, Photoluminescence and Optically Stimulated Luminescence Characteristics of CaSO4:Eu Phosphor: An Experimental and Density Functional Theory (DFT) Investigation - dataset - Mandlik NT, Rondiya SR, Dzade NY, et al. (2020). Cardiff University. 10.17035/d.2020.0098315425. Luminescence Computational chemistry Semiconductor Electronic Structure
- Tuning the band gap of copper I oxide via transition metal doping for improved photovoltaic applications - dataset - Živković A, Roldan A, de Leeuw NH (2019). Cardiff University. 10.17035/d.2019.0081822100. Defects Computational chemistry Electronic Properties
