scholarly journals Thermal transport and phonon focusing in complex molecular crystals: Ab initio study of polythiophene

2019 ◽  
Vol 100 (9) ◽  
Author(s):  
Peishi Cheng ◽  
Nina Shulumba ◽  
Austin J. Minnich
Keyword(s):  
Ab Initio ◽  
Thermal Transport ◽  
Molecular Crystals ◽  
Ab Initio Study ◽  
Phonon Focusing

Thermal Transport Property of Novel Two-dimensional Nitride Phosphorus: an ab initio Study

2021 ◽  
pp. 149463
Author(s):  
Bing Lv Calculation ◽  
Xiaona Hu ◽  
Ning Wang ◽  
Jia Song ◽  
Xuefei Liu ◽  
...  
Keyword(s):  
Ab Initio ◽  
Transport Property ◽  
Thermal Transport ◽  
Two Dimensional ◽  
Ab Initio Study ◽  
Thermal Transport Property

Ab initio study of van der Waals and hydrogen-bonded molecular crystals with a periodic local-MP2 method

CrystEngComm ◽  
2010 ◽  
Vol 12 (8) ◽  
pp. 2429 ◽  
Author(s):  
Lorenzo Maschio ◽  
Denis Usvyat ◽  
Bartolomeo Civalleri
Keyword(s):  
Ab Initio ◽  
Van Der Waals ◽  
Molecular Crystals ◽  
Ab Initio Study ◽  
Mp2 Method ◽  
Hydrogen Bonded

Electrical and thermal transport properties of Fe–Ni based ternary alloys in the earth's inner core: An ab initio study

2020 ◽  
Vol 301 ◽  
pp. 106465
Author(s):  
Mustapha Zidane ◽  
El Mehdi Salmani ◽  
Arnab Majumdar ◽  
Hamid Ez-Zahraouy ◽  
Abdelilah Benyoussef ◽  
...  
Keyword(s):  
Ab Initio ◽  
Transport Properties ◽  
Thermal Transport ◽  
Inner Core ◽  
Ternary Alloys ◽  
Ab Initio Study ◽  
Thermal Transport Properties ◽  
Earth’S Inner Core

Thermal transport by electrons and phonons in PdTe2: an ab initio study

2021 ◽  
Vol 23 (10) ◽  
pp. 5956-5962
Author(s):  
Shouhang Li ◽  
Xinyu Zhang ◽  
Hua Bao
Keyword(s):  
Ab Initio ◽  
Thermal Transport ◽  
Ab Initio Study ◽  
Thermal Conductivities

The electronic and lattice thermal conductivities of the a-axis and c-axis of PdTe2.

Thermal transport in novel carbon allotropes with sp2 or sp3 hybridization: An ab initio study

2017 ◽  
Vol 95 (8) ◽  
Author(s):  
Sheng-Ying Yue ◽  
Guangzhao Qin ◽  
Xiaoliang Zhang ◽  
Xianlei Sheng ◽  
Gang Su ◽  
...  
Keyword(s):  
Ab Initio ◽  
Thermal Transport ◽  
Ab Initio Study ◽  
Carbon Allotropes

Thermal transport properties of antimonene: an ab initio study

2016 ◽  
Vol 18 (45) ◽  
pp. 31217-31222 ◽  
Author(s):  
Shudong Wang ◽  
Wenhua Wang ◽  
Guojun Zhao
Keyword(s):  
Thermal Conductivity ◽  
Ab Initio ◽  
Transport Properties ◽  
Thermal Transport ◽  
Ab Initio Study ◽  
Thermoelectric Devices ◽  
Low Thermal Conductivity ◽  
Thermal Transport Properties

Searching for low thermal conductivity materials is crucial for thermoelectric devices.

An ab initio study of Se-reacted GaAs(0 0 1) surfaces

1998 ◽  
Vol 184-185 (1-2) ◽  
pp. 80-84 ◽  
Author(s):  
W Faschinger
Keyword(s):  
Ab Initio ◽  
Ab Initio Study
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