NDLI: Thermal conductivity engineering of bulk and one-dimensional Si-Ge nanoarchitectures

Content Provider	Taylor & Francis Online
Author	Ozden, Ayberk Kandemir, Ali Sevik, Cem Cagin, Tahir
Abstract	Various theoretical and experimental methods are utilized to investigate the thermal conductivity of nanostructured materials; this is a critical parameter to increase performance of thermoelectric devices. Among these methods, equilibrium molecular dynamics (EMD) is an accurate technique to predict lattice thermal conductivity. In this study, by means of systematic EMD simulations, thermal conductivity of bulk Si-Ge structures (pristine, alloy and superlattice) and their nanostructured one dimensional forms with square and circular cross-section geometries (asymmetric and symmetric) are calculated for different crystallographic directions. A comprehensive temperature analysis is evaluated for selected structures as well. The results show that one-dimensional structures are superior candidates in terms of their low lattice thermal conductivity and thermal conductivity tunability by nanostructuring, such as by diameter modulation, interface roughness, periodicity and number of interfaces. We find that thermal conductivity decreases with smaller diameters or cross section areas. Furthermore, interface roughness decreases thermal conductivity with a profound impact. Moreover, we predicted that there is a specific periodicity that gives minimum thermal conductivity in symmetric superlattice structures. The decreasing thermal conductivity is due to the reducing phonon movement in the system due to the effect of the number of interfaces that determine regimes of ballistic and wave transport phenomena. In some nanostructures, such as nanowire superlattices, thermal conductivity of the Si/Ge system can be reduced to nearly twice that of an amorphous silicon thermal conductivity. Additionally, it is found that one crystal orientation, <100>, is better than the <111> crystal orientation in one-dimensional and bulk SiGe systems. Our results clearly point out the importance of lattice thermal conductivity engineering in bulk and nanostructures to produce high-performance thermoelectric materials.
Starting Page	187
Ending Page	196
Page Count	10
File Format	PDF HTM / HTML
ISSN	14686996 18785514
DOI	10.1080/14686996.2017.1288065
Journal	Science and Technology of Advanced Materials
Volume Number	18
Issue Number	1
Language	English
Publisher	Taylor & Francis
Publisher Date	2017-03-13
Access Restriction	Open
Subject Keyword	Molecular dynamics Thermal conductivity Superlattices Alloy Interface roughness Nanowire Thermoelectric 50 Energy Materials 105 Low-Dimension (1D/2D) materials 206 Energy conversion / transport / storage / recovery 210 Thermoelectronics / Thermal transport / insulators 402 Multi-scale modeling
Content Type	Text
Resource Type	Article
Subject	Materials Science

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

Miniaturized planar Si-nanowire micro-thermoelectric generator using exuded thermal field for power generation

Miniaturized planar Si-nanowire micro-thermoelectric generator using exuded thermal field for power generation: Science and Technology of Advanced Materials: Vol 19, No 1

Thickness-dependent thermoelectric power factor of polymer-functionalized semiconducting carbon nanotube thin films

Thickness-dependent thermoelectric power factor of polymer-functionalized semiconducting carbon nanotube thin films: Science and Technology of Advanced Materials: Vol 19, No NRG3

Thermoelectric materials and applications for energy harvesting power generation

Effect of amine structure on CO2 capture by polymeric membranes

Thermoelectric materials and applications for energy harvesting power generation: Science and Technology of Advanced Materials: Vol 19, No 1

Nanostructure design for drastic reduction of thermal conductivity while preserving high electrical conductivity

Organic π-type thermoelectric module supported by photolithographic mold: a working hypothesis of sticky thermoelectric materials

Thermal conductivity engineering of bulk and one-dimensional Si-Ge nanoarchitectures

Similar Documents

Miniaturized planar Si-nanowire micro-thermoelectric generator using exuded thermal field for power generation

Miniaturized planar Si-nanowire micro-thermoelectric generator using exuded thermal field for power generation: Science and Technology of Advanced Materials: Vol 19, No 1

Thickness-dependent thermoelectric power factor of polymer-functionalized semiconducting carbon nanotube thin films

Thickness-dependent thermoelectric power factor of polymer-functionalized semiconducting carbon nanotube thin films: Science and Technology of Advanced Materials: Vol 19, No NRG3

Thermoelectric materials and applications for energy harvesting power generation

Effect of amine structure on CO2 capture by polymeric membranes

Thermoelectric materials and applications for energy harvesting power generation: Science and Technology of Advanced Materials: Vol 19, No 1

Nanostructure design for drastic reduction of thermal conductivity while preserving high electrical conductivity

Organic π-type thermoelectric module supported by photolithographic mold: a working hypothesis of sticky thermoelectric materials

Thermal conductivity engineering of bulk and one-dimensional Si-Ge nanoarchitectures