Data For "Identification Of Killer Defects In Kesterite Thin-Film Solar Cells"
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**README** Data for "Identification of Killer Defects in Kesterite Thin-Film Solar Cells" DOI: 10.1021/acsenergylett.7b01313 <br> * File Tree <br> ---<br> * DFT_CALC // Row input file for DFT calculation (VASP)<br> * XX_DEFECT_CZTS(e) // Data for CZTS (or CZTSe)<br> * XX_PRIM(ORTHO/221) // Data for bulk (primitive, orthogonal or 2X2X1 supercell)<br> * XX_Defect // Data for defect (V_S, Sn_Cu, Sn_Zn, Cu_Sn)<br> * XX_q // SCF calculation with charge state q <br> * fig // data used to draw figures<br> * 00_atomic_structure <br> * 01_charge_transition_level<br> * 02_charge_density<br> * 03_configuration_coordinate<br> * 20_SI_PHASE_DIAGRAM
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Zenodo创建时间：
2018-01-30
