1/1
Data for the article: Chlorine activated stacking fault removal mechanism in thin film CdTe solar cells: the missing piece
Version 2 2021-09-06, 11:22
Version 1 2021-06-29, 10:10
dataset
posted on 2021-09-06, 11:22 authored by Pooja GoddardPooja Goddard, Roger Smith, Michael WallsMichael Walls, Ali AbbasAli Abbas, Tom Fiducia, Michael Watts, Pete HattonInput VASP files for all the data reported in Nature Communications.
INCAR and POSCAR files for:
1) 0 Cl GB structures with and without stacking faults and input files required for NEB.
2) Structures and input files which generate table 1 showing SF removal energy change with increasing Cl concentration.3) 14 Cl GB structures from figure 7 and input files required for NEB.
4) Structures and input files required to generate DOS and ParCHG structures from figure 8 and 9.
5) DOS plotting program
Added prefix to title on 06/09/2021.
History
School
- Science
- Mechanical, Electrical and Manufacturing Engineering
Department
- Chemistry
- Mathematical Sciences
Research Unit
- Centre for Renewable Energy Systems Technology (CREST)
