Anisotropic thermoelectric behavior in armchair and zigzag mono- and fewlayer MoS2 in thermoelectric generator applications

Scientific Reports
Abbas Arab, Qiliang Li

Abstract

In this work, we have studied thermoelectric properties of monolayer and fewlayer MoS2 in both armchair and zigzag orientations. Density functional theory (DFT) using non-equilibrium Green's function (NEGF) method has been implemented to calculate the transmission spectra of mono- and fewlayer MoS2 in armchair and zigzag directions. Phonon transmission spectra are calculated based on parameterization of Stillinger-Weber potential. Thermoelectric figure of merit, ZT, is calculated using these electronic and phonon transmission spectra. In general, a thermoelectric generator is composed of thermocouples made of both n-type and p-type legs. Based on our calculations, monolayer MoS2 in armchair orientation is found to have the highest ZT value for both p-type and n-type legs compared to all other armchair and zigzag structures. We have proposed a thermoelectric generator based on monolayer MoS2 in armchair orientation. Moreover, we have studied the effect of various dopant species on thermoelectric current of our proposed generator. Further, we have compared output current of our proposed generator with those of Silicon thin films. Results indicate that thermoelectric current of MoS2 armchair monolayer is several orders of magnitud...Continue Reading

References

May 15, 1985·Physical Review. B, Condensed Matter·M BüttikerS Pinhas
Apr 15, 1985·Physical Review. B, Condensed Matter·F H Stillinger, T A Weber
May 15, 1993·Physical Review. B, Condensed Matter·L D Hicks, M S Dresselhaus
Jun 15, 1993·Physical Review. B, Condensed Matter·L D Hicks, M S Dresselhaus
Jul 31, 1999·Science·F J DiSalvo
Sep 16, 2000·Physical Review Letters·G SeifertT Frauenheim
Jul 20, 2005·Proceedings of the National Academy of Sciences of the United States of America·K S NovoselovA K Geim
Nov 11, 2005·Nature·K S NovoselovA A Firsov
Dec 16, 2006·Science·Catalin ChiritescuPaul Zschack
Mar 3, 2007·Nature Materials·A K Geim, K S Novoselov
Jun 26, 2009·Journal of the American Chemical Society·Yafei LiZhongfang Chen
Mar 17, 2010·Nano Letters·Andrea SplendianiFeng Wang
Jan 15, 2011·Physical Review Letters·Kin Fai MakTony F Heinz
Feb 1, 2011·Nature Nanotechnology·B RadisavljevicA Kis
Jul 28, 2011·Nano Letters·Youngki YoonSayeef Salahuddin
Sep 10, 2011·ACS Nano·Subhamoy GhatakArindam Ghosh
Nov 15, 2011·ACS Nano·Branimir RadisavljevicAndras Kis
May 15, 2012·ACS Nano·Dattatray J LateC N R Rao
May 17, 2012·Physical Review Letters·Igor PopovDavid Tománek
Aug 7, 2012·Physical Review Letters·Hannu-Pekka KomsaArkady V Krasheninnikov
Aug 7, 2012·Nano Letters·Han WangTomas Palacios
Sep 22, 2012·Nature·Kanishka BiswasMercouri G Kanatzidis
Jul 19, 2013·Scientific Reports·Jin-Wu JiangTimon Rabczuk
Oct 18, 2012·The Journal of Physical Chemistry Letters·Liangzhi KouThomas Frauenheim

❮ Previous
Next ❯

Citations

Mar 16, 2017·Advanced Materials·Christian MartellaAlessandro Molle
Jan 23, 2018·Macromolecular Rapid Communications·Hongyan YaoJianyong Ouyang
Nov 23, 2016·Physical Chemistry Chemical Physics : PCCP·Sheng YuQiliang Li
Aug 29, 2020·Physical Chemistry Chemical Physics : PCCP·Supriya GhosalDebnarayan Jana
Nov 11, 2016·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Guanpeng LiGuoying Gao
Oct 24, 2020·Membranes·Lara LoskeHideto Matsuyama
Sep 29, 2017·ACS Applied Materials & Interfaces·Marianna SledzinskaClivia M Sotomayor Torres
Jul 3, 2020·Chemical Reviews·Xiao-Lei ShiZhi-Gang Chen
Aug 30, 2021·Journal of Molecular Modeling·Maryam Samanian, Mohammad Hadi Ghatee
May 8, 2018··Ian FouldsMutee Rehman

❮ Previous
Next ❯

Software Mentioned

QuantumWise ATK
Synopsys TCAD
Quantum Wise ATK package

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.