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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 - 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. |
19 nov. 2021 -
Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study
Archivo Bzip - 69.5 MB -
MD5: 65ce925a713c9c2b290c31d80893bded
Velocities in MD simulation of FAPI(0.875)MAPBr(0.125), times 23ps-31ps. Option COMVET_TOL to fix de center of mass was activated. |
19 nov. 2021 -
Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study
Archivo Bzip - 50.0 MB -
MD5: 3dd72a304209301c3aa805a95d96c199
Coordinates of molecular dynamics simulation of MAPbBr3. Time interval: 22-26ps. |
19 nov. 2021 -
Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study
Archivo Bzip - 35.0 MB -
MD5: 1133cd8e44579e61200105ce83ee66cf
Velocities of molecular dynamics simulation of MAPbBr3. Time interval: 22-26ps. |