Data for the article: Chlorine activated stacking fault removal mechanism in thin film CdTe solar cells: the missing piece
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Input 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.
创建时间：
2021-06-29
