Research Datasets (13)

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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.
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, Kulkarni MS, Sahare PD, Bhatt BC, Dhole SD (2020). Cardiff University. 10.17035/d.2020.0098315425.
Substitutional doping with Fe of the zinc oxide ZnO(10-10) surfaces - Santos-Carballal D, Cadi-Essadek A-A, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0054411689.
Substitutional doping with Ag of the zinc oxide ZnO(10-10) surfaces - data - Santos Carballal D, Cadi-Essadek A, de Leeuw NH (2020). Cardiff University. 10.17035/d.2019.0081500252.
Substitutional doping with Ag of the zinc oxide ZnO(0001) surface - dataset - Santos-Carballal D, Cadi-Essadek A, de Leeuw NH (2019). Cardiff University. 10.17035/d.2019.0081497456.
Study of NaVOPO4 Polymorphs as Cathode Materials for Na-ion Batteries - Aparicio P A, Dawson J A, Islam M S, de Leeuw N H (2018). Cardiff University. 10.17035/d.2018.0060727953.
Structure-based design of allosteric calpain-1 inhibitors populating a novel bioactivity space - Kalash L, Cresser-Brown J, Habchi J, Morgan C, Miller DJ, Glen RC, Allemann RK, Bender A (2018). Cardiff University. 10.17035/d.2018.0061359778.
Modulation of the Gloeobacter violaceus ion channel by fentanyl: a molecular dynamics study - data - Faulkner C, Plant DF, de Leeuw NH (2019). Cardiff University. 10.17035/d.2019.0080928584.
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, Quesne M, Maenetja KP, Ngoepe PE, de Leeuw NH (2019). Cardiff University. 10.17035/d.2019.0085116020.
Computational insights into the photovoltaic potential of zinc diphosphides - dataset - Živković A, Farkaš B, Dzade NY, Uahengo V, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0054381131.
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