Tuning the thermal conductivity of methylammonium lead halide by the molecular substructure

2016 ◽  
Vol 18 (35) ◽  
pp. 24318-24324 ◽  
Author(s):  
Claudia Caddeo ◽  
Claudio Melis ◽  
Maria Ilenia Saba ◽  
Alessio Filippetti ◽  
Luciano Colombo ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Organic Molecules ◽  
Lead Halide ◽  
Molecular Substructure

It is shown by molecular dynamics that the substructure of organic molecules can tailor the thermal conductivity of MAPI.

A MOLECULAR DYNAMICS STUDY OF ELECTRONIC SPUTTERING OF LARGE ORGANIC MOLECULES

1989 ◽  
Vol 50 (C2) ◽  
pp. C2-33-C2-35 ◽  
Author(s):  
D. FENYÖ ◽  
B. U.R. SUNDQVIST ◽  
B. KARLSSON ◽  
R. E. JOHNSON
Keyword(s):  
Molecular Dynamics ◽  
Organic Molecules

Interatomic potential for predicting the thermal conductivity of zirconium trisulfide monolayers with molecular dynamics

2021 ◽  
Vol 129 (15) ◽  
pp. 155105
Author(s):  
Fernan Saiz ◽  
Yenal Karaaslan ◽  
Riccardo Rurali ◽  
Cem Sevik
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Interatomic Potential

Study of lattice thermal conductivity of tungsten containing bubbles by molecular dynamics simulation

2020 ◽  
Vol 161 ◽  
pp. 112004
Author(s):  
Hongyu Zhang ◽  
Jizhong Sun ◽  
Yingmin Wang ◽  
Thomas Stirner ◽  
Ali Y. Hamid ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Lattice Thermal Conductivity ◽  
Dynamics Simulation

Thermal conductivity of short tungsten disulfide nanotubes: A molecular dynamics study

2021 ◽  
Vol 129 (23) ◽  
pp. 235110
Author(s):  
Jing Wan ◽  
Cong Tan ◽  
Yan Rong ◽  
Lan Zhang ◽  
Hai-Fang Cai
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Tungsten Disulfide
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