1 a 10 de 36 Resultados
Archivo Gzip - 595.6 MB -
MD5: 7d9bec3587b0939b18b714ee13143926
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RAR Archive - 12.3 KB -
MD5: 3b15a66973b2b9a8a5b697de839ecdfb
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Archivo Gzip - 1.3 GB -
MD5: 3f4ce2142a526634bc71f195e612f606
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Archivo Gzip - 629.2 MB -
MD5: 72d08ae0068de9edcaaf0bbd81669d95
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Archivo Gzip - 607.7 MB -
MD5: c0b8214751627a1a5a139017c97399ff
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19 nov. 2021 -
Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study
Archivo Bzip - 80.4 MB -
MD5: eb9f42048df6c5e55b07597eea66398b
Calculations of the dielectric function in the Random Phase Approximation, with the hybrid functionals HSE06 and PBE0(0.188). VASP files. |
19 nov. 2021 -
Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study
Archivo Bzip - 289.2 KB -
MD5: 7ad1e8f2b89f9191cdcce36468bc0853
Statistics of MD simulation of FAPI. Time interval in equilibrium: 8-28 ps. |
19 nov. 2021 -
Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study
Archivo Bzip - 340.4 KB -
MD5: 7fd2bba3307e60a9d9e8edf72d99a130
Statistics of FAPI(0.875)MAPBr(0.125) MD simulation. Time interval: 0-23 ps. Equilibrated after 5 ps. |
19 nov. 2021 -
Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study
Archivo Bzip - 148.2 KB -
MD5: fafb8fdf69a4b889513c25c0e31d5540
Statistics of total energies in a MD simulation of FAPI(0.875)MAPBr(0.125), time interval 23-31ps, center of mass fixed with option COMVEL_TOL. |
19 nov. 2021 -
Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study
Archivo Bzip - 100.0 MB -
MD5: 8969f1746b312c4edbee3af728edc3b3
Position in MD simulation of FAPI(0.875)MAPbr(0.125), times 23ps-31ps. Option COMVEL_TOL to fix de center of mass was activated. |