Research output per year
Research output per year
Description
Data to accompany the article "Phonon anharmonicity, lifetimes, and thermal transport in CH3NH3PbI3 from many-body perturbation theory". The data includes a set of input files for the Vienna Ab initio Simulation Package (VASP) electronic-structure code, together with input and output files for the Phonopy and Phono3py packages used to set up and post-process the lattice-dynamics calculations.
| Date made available | 2016 |
|---|---|
| Publisher | University of Bath |
Research output
- 2 Article
-
Phonon anharmonicity, lifetimes, and thermal transport in CH3NH3PbI3 from many-body perturbation theory
Whalley, L. D., Skelton, J. M., Frost, J. M. & Walsh, A., 8 Dec 2016, In: Physical Review B. 94, 220301(R).Research output: Contribution to journal › Article › peer-review
Open AccessFile144 Citations (SciVal)255 Downloads (Pure) -
Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal, and cubic phases of methylammonium lead iodide
Brivio, F., Frost, J., Skelton, J., Jackson, A., Weber, O., Weller, M., Goñi, A., Leguy, A. M. A., Barnes, P. R. F. & Walsh, A., 16 Oct 2015, In: Physical Review B. 92, 14, 144308.Research output: Contribution to journal › Article › peer-review
Open AccessFile468 Citations (SciVal)197 Downloads (Pure)
Projects
- 3 Finished
-
Multi-Scale Modelling of Hybrid Perovskites for Solar Cells
Walsh, A. (PI)
Engineering and Physical Sciences Research Council
1/02/15 → 31/01/18
Project: Research council
-
Energy Materials: Computational Solutions
Islam, S. (PI), Parker, S. (CoI) & Walsh, A. (CoI)
Engineering and Physical Sciences Research Council
20/05/13 → 29/12/19
Project: Research council
-
Applying Long-Lived Metastable States in Switchable Functionality via Kinetic Control of Molecular Assembly
Raithby, P. (PI), Burrows, A. (CoI), Lewis, D. (CoI), Marken, F. (CoI), Parker, S. (CoI), Walsh, A. (CoI) & Wilson, C. (CoI)
Engineering and Physical Sciences Research Council
1/11/12 → 30/04/18
Project: Research council