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High Thermoelectric Performance in Two-Dimensional Janus Monolayer Material WS-X (X = Se and Te)

Patel, Abhishek (författare)
Department of physics, Veer Narmad South Gujarat University, Surat 395007, India,Veer Narmad South Gujarat Univ, Dept Phys, Surat 395007, India.
Singh, Deobrat (författare)
Uppsala universitet,Materialteori
Sonvane, Yogesh (författare)
Advanced Materials Lab, Department of Applied Physics, S.V. National Institute of Technology, Surat 395007, India,SV Natl Inst Technol, Dept Appl Phys, Adv Mat Lab, Surat 395007, India.
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Thakor, P. B. (författare)
Department of physics, Veer Narmad South Gujarat University, Surat 395007, India,Veer Narmad South Gujarat Univ, Dept Phys, Surat 395007, India.
Ahuja, Rajeev, 1965- (författare)
Uppsala universitet,KTH,Egenskaper,Materialteori,Royal Inst Technol KTH, Appl Mat Phys, Dept Mat Sci & Engn, S-10044 Stockholm, Sweden.
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Department of physics, Veer Narmad South Gujarat University, Surat 395007, India Veer Narmad South Gujarat Univ, Dept Phys, Surat 395007, India (creator_code:org_t)
2020-09-15
2020
Engelska.
Ingår i: ACS Applied Materials and Interfaces. - : NLM (Medline). - 1944-8244 .- 1944-8252. ; 12:41, s. 46212-46219
  • Tidskriftsartikel (refereegranskat)
Abstract Ämnesord
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  • In the present work, Janus monolayers WSSe and WSTe are investigated by combining first-principles calculations and semiclassical Boltzmann transport theory. Janus WSSe and WSTe monolayers show a direct band gap of 1.72 and 1.84 eV at K-points, respectively. These layered materials have an extraordinary Seebeck coefficient and electrical conductivity. This combination of high Seebeck coefficient and high electrical conductivity leads to a significantly large power factor. In addition, the lattice thermal conductivity in the Janus monolayer is found to be relatively very low as compared to the WS2 monolayer. This leads to a high figure of merit (ZT) value of 2.56 at higher temperatures for the Janus WSTe monolayer. We propose that the Janus WSTe monolayer could be used as a potential thermoelectric material due to its high thermoelectric performance. The result suggests that the Janus monolayer is a better candidate for excellent thermoelectric conversion.

Ämnesord

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
NATURVETENSKAP  -- Kemi -- Materialkemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences -- Materials Chemistry (hsv//eng)

Nyckelord

2D Janus monolayer
Boltzmann transport equation
electronic properties
lattice-thermal conductivity
thermoelectric properties
article
calculation
electric conductivity
thermal conductivity

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