Data for "Identification of Killer Defects in Kesterite Thin-Film Solar Cells"
Author(s)
Kim, Sunghyun
Park, Ji-Sang
Walsh, aron
Type
Dataset
Abstract
Data for "Identification of Killer Defects in Kesterite Thin-Film Solar Cells"
DOI: 10.1021/acsenergylett.7b01313
* File Tree
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* DFT_CALC // Row input file for DFT calculation (VASP)
* XX_DEFECT_CZTS(e) // Data for CZTS (or CZTSe)
* XX_PRIM(ORTHO/221) // Data for bulk (primitive, orthogonal or 2X2X1 supercell)
* XX_Defect // Data for defect (V_S, Sn_Cu, Sn_Zn, Cu_Sn)
* XX_q // SCF calculation with charge state q
* fig // data used to draw figures
* 00_atomic_structure
* 01_charge_transition_level
* 02_charge_density
* 03_configuration_coordinate
* 20_SI_PHASE_DIAGRAM
DOI: 10.1021/acsenergylett.7b01313
* File Tree
---
* DFT_CALC // Row input file for DFT calculation (VASP)
* XX_DEFECT_CZTS(e) // Data for CZTS (or CZTSe)
* XX_PRIM(ORTHO/221) // Data for bulk (primitive, orthogonal or 2X2X1 supercell)
* XX_Defect // Data for defect (V_S, Sn_Cu, Sn_Zn, Cu_Sn)
* XX_q // SCF calculation with charge state q
* fig // data used to draw figures
* 00_atomic_structure
* 01_charge_transition_level
* 02_charge_density
* 03_configuration_coordinate
* 20_SI_PHASE_DIAGRAM
Version
2
Date Issued
2018-01-31
Citation
2018
Copyright Statement
https://creativecommons.org/licenses/by-sa/4.0/
Sponsor
Commission of the European Communities
Grant Number
720907
Is Referenced By
Subjects
Killer Defects
Kesterite Thin-Film Solar Cells