Energy Materials: Computational Solutions

Search results

• Nanostructuring perovskite oxides: The impact of SrTiO3 nanocubes 3D self-assembly on thermal conductivity

  Parker, S. (Creator), Molinari, M. (Creator) & Yeandel, S. (Creator), University of Bath, 2016

  DOI: 10.15125/BATH-00321

  Dataset

• Dataset for "Partial Cation Substitution Reduces Iodide Ion Transport in Lead Iodide Perovskite Solar Cells"

  Cameron, P. (Creator), Pering, S. (Data Collector), Ferdani, D. (Data Collector), Ghosh, D. (Researcher), Islam, M. (Supervisor) & Walker, A. (Supervisor), University of Bath, 8 Nov 2019

  DOI: 10.15125/BATH-00528, http://www.rsc.org/suppdata/c9/ee/c9ee00476a/c9ee00476a1.pdf

  Dataset

• Dataset for Tungsten Bronze Barium Neodymium Titanate (Ba6-3nNd8+2nTi18O54): an Intrinsic Nanostructured Material and its Defect Distribution

  Molinari, M. (Creator), Baran, J. (Creator) & Parker, S. (Creator), University of Bath, 2016

  DOI: 10.15125/BATH-00174

  Dataset

• Data for "Metastable cubic tin sulfide: a novel phonon-stable chiral semiconductor"

  Skelton, J. (Creator), Burton, L. (Data Collector), Oba, F. (Project Member) & Walsh, A. (Project Leader), University of Bath, 2017

  DOI: 10.15125/BATH-00338

  Dataset

• Dataset for "Prospects for engineering thermoelectric properties in La1/3NbO3 ceramics revealed via atomic-level characterization and modelling"

  Azough, F. (Creator), Ekren, D. (Creator), Srivastava, D. (Creator), Parker, S. (Creator), Freer, R. (Creator), Kepaptsoglou, D. (Project Member), Baran, J. (Project Member), Molinari, M. (Researcher) & Ramasse, Q. M. (Project Member), University of Bath, 19 Dec 2017

  DOI: 10.15125/BATH-00463

  Dataset

• Data for "Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions"

  Skelton, J. (Creator), Burton, L. (Researcher), Parker, S. (Supervisor), Walsh, A. (Project Leader), Kim, C.-E. (Researcher), Soon, A. (Supervisor), Buckeridge, J. (Researcher), Sokol, A. A. (Researcher), Catlow, C. R. A. (Supervisor), Togo, A. (Researcher) & Tanaka, I. (Supervisor), University of Bath, 10 Aug 2016

  DOI: 10.15125/BATH-00258, https://github.com/WMD-group/Phonons

  Dataset

• Data for "Phonon anharmonicity, lifetimes, and thermal transport in CH3NH3PbI3 from many-body perturbation theory"

  Skelton, J. (Creator), Whalley, L. (Data Collector), Frost, J. (Data Collector) & Walsh, A. (Project Leader), University of Bath, 2016

  DOI: 10.15125/BATH-00322

  Dataset

• Data for "The Impact of Tilt Grain Boundaries on the Thermal Transport in Perovskite SrTiO3 Layered Nanostructures. A Computational Study"

  Parker, S. (Creator), Molinari, M. (Creator) & Yeandel, S. (Creator), University of Bath, 19 Jul 2018

  DOI: 10.15125/BATH-00536

  Dataset