Repositorio de datos de investigación de la Universidad de Chile

Dataverses destacados

Para usar esta funcionalidad ha de tener publicado al menos un dataverse.

Publicar dataverse

¿Está seguro de que quiere publicar su dataverse? Una vez hecho esto, deberá permanecer publicado.

Publicar dataverse

Este dataverse no puede publicarse porque el dataverse al que pertenece no se ha publicado.

Eliminar dataverse

¿Está seguro de que quiere eliminar este dataverse? No podrá recuperarlo.

Publication Year: 2021

41 a 50 de 150 Resultados

FAPI-CsPB-vel-1-4001-6020.xyz.bz2 22 nov. 2021 - Molecular dynamics of halide perovskite alloys Bzip Archive - 16.2 MB - MD5: 4fd68b6fd71831874ebefff2a5e15410
FAPI-CsPB-vel-1-6021-10020.xyz.bz2 22 nov. 2021 - Molecular dynamics of halide perovskite alloys Bzip Archive - 32.1 MB - MD5: 5eb3d23d6c4a7d06c395233c8a280e10
FAPI-FAPB-NVT-Nose.tar.bz2 22 nov. 2021 - Molecular dynamics of halide perovskite alloys Bzip Archive - 1.5 MB - MD5: a0923f6a9ce3f0c7eff020f97bd200a2
FAPI-FAPB-pos-1.xyz.bz2 22 nov. 2021 - Molecular dynamics of halide perovskite alloys Bzip Archive - 149.8 MB - MD5: 72f5f4a54c6ca0bc4c61c30b5243325e
FAPI-FAPB-vel-1.xyz.bz2 22 nov. 2021 - Molecular dynamics of halide perovskite alloys Bzip Archive - 104.2 MB - MD5: 477482da7469802e5b447d7769b586f4
FAPI-MAPBr-0-23ps-statistics.tar.bz2 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.
FAPI-MAPBr-1-0-23000.ener 19 nov. 2021 - Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study Desconocido - 2.9 MB - MD5: 9cca0bc0a2469d94371b132f6e211e4b Energies of (FAPbI3)0.875(MAPbBr3)0.125 along a 23 ps simulation. The system is equilibrated after 5 ps.
FAPI-MAPBr-1-23-31fs-COMVTOL.ener 19 nov. 2021 - Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study Desconocido - 1023.7 KB - MD5: 73ea6085390666f42f04597fdc859609 Energies of FAPI(0.875)MAPBr(0.125) in a MD simulation. Time interval: 23-31 ps. Center of mass is fixed with option COMVEL_TOL.
FAPI-MAPBr-COMVTOL-23-31ps-statistics.tar.bz2 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.
FAPI-MAPBr-pos-1-23-31ps-COMVTOL.xyz.bz2 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.

FAPI-CsPB-vel-1-4001-6020.xyz.bz2

22 nov. 2021 - Molecular dynamics of halide perovskite alloys

Bzip Archive - 16.2 MB -

FAPI-CsPB-vel-1-6021-10020.xyz.bz2

22 nov. 2021 - Molecular dynamics of halide perovskite alloys

Bzip Archive - 32.1 MB -

FAPI-FAPB-NVT-Nose.tar.bz2

22 nov. 2021 - Molecular dynamics of halide perovskite alloys

Bzip Archive - 1.5 MB -

FAPI-FAPB-pos-1.xyz.bz2

22 nov. 2021 - Molecular dynamics of halide perovskite alloys

Bzip Archive - 149.8 MB -

FAPI-FAPB-vel-1.xyz.bz2

22 nov. 2021 - Molecular dynamics of halide perovskite alloys

Bzip Archive - 104.2 MB -

FAPI-MAPBr-0-23ps-statistics.tar.bz2

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 -

Statistics of FAPI(0.875)MAPBr(0.125) MD simulation. Time interval: 0-23 ps. Equilibrated after 5 ps.

FAPI-MAPBr-1-0-23000.ener

19 nov. 2021 - Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study

Desconocido - 2.9 MB -

Energies of (FAPbI3)0.875(MAPbBr3)0.125 along a 23 ps simulation. The system is equilibrated after 5 ps.

FAPI-MAPBr-1-23-31fs-COMVTOL.ener

19 nov. 2021 - Data supporting Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125: an ab initio molecular dynamics study

Desconocido - 1023.7 KB -

Energies of FAPI(0.875)MAPBr(0.125) in a MD simulation. Time interval: 23-31 ps. Center of mass is fixed with option COMVEL_TOL.

FAPI-MAPBr-COMVTOL-23-31ps-statistics.tar.bz2

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 -

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.

FAPI-MAPBr-pos-1-23-31ps-COMVTOL.xyz.bz2

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 -

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.

Añadir datos

Necesita crear una cuenta o identificarse para crear un dataverse o añadir un dataset.

Crear cuenta Iniciar sesión

Compartir dataverse

Enlace al dataverse

Reiniciar modificaciones