Methylammonium Rotational Dynamics in Lead Halide Perovskite by Classical Molecular Dynamics: The Role of Temperature

2015 ◽  
Vol 119 (30) ◽  
pp. 17421-17428 ◽  
Author(s):  
A. Mattoni ◽  
A. Filippetti ◽  
M. I. Saba ◽  
P. Delugas
Keyword(s):  
Molecular Dynamics ◽  
Rotational Dynamics ◽  
Classical Molecular Dynamics ◽  
Halide Perovskite ◽  
Lead Halide

scholarly journals Deformation twinning and the role of amino acids and magnesium in calcite hardness from molecular simulation

2015 ◽  
Vol 17 (31) ◽  
pp. 20178-20184 ◽  
Author(s):  
A. S. Côté ◽  
R. Darkins ◽  
D. M. Duffy
Keyword(s):  
Molecular Dynamics ◽  
Amino Acids ◽  
Molecular Simulation ◽  
Elastic Properties ◽  
Deformation Twinning ◽  
Pure Crystal ◽  
Classical Molecular Dynamics ◽  
Deformation Twins

We employ classical molecular dynamics to calculate elastic properties and to model the nucleation and propagation of deformation twins in calcite, both as a pure crystal and with magnesium and aspartate inclusions.

Understanding the Essential Role of PbI2 Films in a High-Performance Lead Halide Perovskite Photodetector

2020 ◽  
Vol 124 (28) ◽  
pp. 15107-15114
Author(s):  
Yang Li ◽  
Kai Cui ◽  
Xuehui Xu ◽  
Jie Chen ◽  
Yang Liu ◽  
...  
Keyword(s):  
High Performance ◽  
Essential Role ◽  
Halide Perovskite ◽  
Lead Halide

Role of the Selective Contacts in the Performance of Lead Halide Perovskite Solar Cells

2014 ◽  
Vol 5 (4) ◽  
pp. 680-685 ◽  
Author(s):  
Emilio J. Juarez-Perez ◽  
Michael Wuβler ◽  
Francisco Fabregat-Santiago ◽  
Kerstin Lakus-Wollny ◽  
Eric Mankel ◽  
...  
Keyword(s):  
Solar Cells ◽  
Perovskite Solar Cells ◽  
Halide Perovskite ◽  
Lead Halide

scholarly journals Formation, location and beneficial role of PbI2 in lead halide perovskite solar cells

2017 ◽  
Vol 1 (1) ◽  
pp. 119-126 ◽  
Author(s):  
Tian Du ◽  
Claire H. Burgess ◽  
Jinhyun Kim ◽  
Jiaqi Zhang ◽  
James R. Durrant ◽  
...  
Keyword(s):  
Solar Cells ◽  
Perovskite Solar Cells ◽  
Secondary Phase ◽  
Device Performance ◽  
Beneficial Role ◽  
Secondary Phase Formation ◽  
Halide Perovskite ◽  
Lead Halide ◽  
Post Deposition

Here we report the investigation of controlled PbI2 secondary phase formation in CH3NH3PbI3 (MAPI) photovoltaics through post-deposition thermal annealing, identifying the location of PbI2 in the active layer and its beneficial role on device performance.

scholarly journals The Role of the Atmosphere on the Photophysics of Ligand‐Free Lead‐Halide Perovskite Nanocrystals

2021 ◽  
pp. 2100605
Author(s):  
María Morán‐Pedroso ◽  
Andrea Rubino ◽  
Mauricio E. Calvo ◽  
Juan P. Espinós ◽  
Juan F. Galisteo‐López ◽  
...  
Keyword(s):  
Perovskite Nanocrystals ◽  
Ligand Free ◽  
Halide Perovskite ◽  
Lead Halide
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