11 a 20 de 41 Resultados
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 - 69.5 MB -
MD5: 1d5e3e56a0fa9827f6a09716a3b8b5d0
Velocities of FAPI(0.875)MAPbr(0.125) in a MD simulation for time interval 15-23 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 - 86.9 MB -
MD5: c86a784de761b2136505ce79a92e7ea3
Velocities of FAPI(0.875)MAPbr(0.125) in a MD simulation for time interval 5-15 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 - 132.7 KB -
MD5: c1982e79ee265b33e9edd6278db4137c
Variable cell relaxation of FAPbI3. |
19 nov. 2021 -
Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study
Archivo Bzip - 150.2 MB -
MD5: abc0e62e06fbc1b7e61b3f7e6b3d3690
Velocities of molecular dynamics simulation of FAPI. Time interval: 16-28 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 - 100.1 MB -
MD5: d2d2b3c4de0ad9decced8f04281082a9
Coordinates of molecular dynamics simulation of FAPI. Time interval: 8-16 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 - 104.0 MB -
MD5: 3aac398fd759f90adcb74d62373a2b0d
Velocities of molecular dynamics simulation of FAPI. Time interval: 16-28 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 - 34.7 MB -
MD5: 4de7535810053f8b046fc638571be49c
Velocities of molecular dynamics simulation of FAPI. Time interval: 8-12 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 - 50.0 MB -
MD5: 6dc792f91f89852c1153daaac0360b60
Coordinates of molecular dynamics of MAPbBr3. Time interval: 18-22ps. |
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. |