Response of Methylammonium Lead Iodide to External Stimuli and Caloric Effects from Molecular Dynamics Simulations

2016 ◽  
Vol 120 (31) ◽  
pp. 17274-17281 ◽  
Author(s):  
Shi Liu ◽  
R. E. Cohen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Lead Iodide ◽  
Dynamics Simulations ◽  
Methylammonium Lead Iodide ◽  
External Stimuli

Quantum mechanical molecular dynamics simulations of polaron formation in methylammonium lead iodide perovskite

2020 ◽  
Vol 22 (1) ◽  
pp. 97-106 ◽  
Author(s):  
Hiroki Uratani ◽  
Chien-Pin Chou ◽  
Hiromi Nakai
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Quantum Mechanical ◽  
Lead Iodide ◽  
Polaron Formation ◽  
Halide Perovskite ◽  
Dynamics Simulations ◽  
Methylammonium Lead Iodide ◽  
Quantum Mechanical Molecular Dynamics

Polaron formation in a halide perovskite is analyzed via nanometre-scale quantum mechanical molecular dynamics simulations.

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