Tunable phononic thermal transport in two-dimensional C6CaC6 via guest atom intercalation

2021 ◽  
Vol 129 (22) ◽  
pp. 225106
Author(s):  
Shuang Lu ◽  
Yulou Ouyang ◽  
Cuiqian Yu ◽  
Pengfei Jiang ◽  
Jia He ◽  
...  
Keyword(s):  
Thermal Transport ◽  
Two Dimensional ◽  
Guest Atom

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

Effects of spin-phonon coupling on two-dimensional ferromagnetic semiconductors: a case study of iron and ruthenium trihalides

Nanoscale ◽  
2021 ◽  
Author(s):  
Yinqiao Liu ◽  
Qinxi Liu ◽  
Ying Liu ◽  
Xue Jiang ◽  
Xiaoliang Zhang ◽  
...  
Keyword(s):  
Transport Properties ◽  
Data Security ◽  
Thermal Transport ◽  
Magnetic Semiconductors ◽  
Ferromagnetic Semiconductors ◽  
Two Dimensional ◽  
Phonon Coupling ◽  
Thermal Transport Properties

The contributions of spin-phonon coupling (SPC) to spin and thermal transport properties are important in the emerging two-dimensional (2D) magnetic semiconductors and are relevant for the data security and working...

Monolayer and bilayer polyaniline C3N: two-dimensional semiconductors with high thermal conductivity

Nanoscale ◽  
2018 ◽  
Vol 10 (9) ◽  
pp. 4301-4310 ◽  
Author(s):  
Yang Hong ◽  
Jingchao Zhang ◽  
Xiao Cheng Zeng
Keyword(s):  
Thermal Conductivity ◽  
Thermal Transport ◽  
Md Simulation ◽  
Transport Processes ◽  
High Thermal Conductivity ◽  
Two Dimensional

Lateral and flexural thermal transport processes in monolayer and bilayer C3N are systematically investigated using MD simulation.

Mechanical, thermal transport, electronic and photocatalytic properties of penta-PdPS, -PdPSe and -PdPTe monolayers explored by first-principles calculations

2021 ◽  
Author(s):  
Bohayra Mortazavi ◽  
Masoud Shahrokhi ◽  
Xiaoying Zhuang ◽  
Alexander V. Shapeev ◽  
Timon Rabczuk
Keyword(s):  
First Principles ◽  
Thermal Transport ◽  
2D Materials ◽  
Layered Materials ◽  
Photocatalytic Properties ◽  
Two Dimensional ◽  
First Principles Calculations

In the latest experimental advances in the field of two-dimensional (2D) materials, penta-PdPS and penta-PdPSe layered materials have been fabricated. In this work, we conduct first-principles calculations to explore the...

Giant effect of spin–lattice coupling on the thermal transport in two-dimensional ferromagnetic CrI3

2020 ◽  
Vol 8 (10) ◽  
pp. 3520-3526 ◽  
Author(s):  
Guangzhao Qin ◽  
Huimin Wang ◽  
Lichuan Zhang ◽  
Zhenzhen Qin ◽  
Ming Hu
Keyword(s):  
Thermal Conductivity ◽  
Thermal Transport ◽  
Magnetic Storage ◽  
Two Dimensional ◽  
Spin Lattice ◽  
Lattice Coupling

The thermal conductivity of monolayer CrI3 is enlarged more than two orders of magnitude by the spin–lattice coupling, which would be large enough for its applications in nanoelectronics and magnetic storage.

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