Enhancing thermoelectric properties of Janus WSSe monolayer by inducing strain mediated valley degeneracy

Chaurasiya, Rajneesh; Tyagi, Shubham; Singh, Nirpendra; Auluck, S.; Dixit, Ambesh

doi:10.1016/j.jallcom.2020.157304

Cited by 49 publications

(38 citation statements)

References 48 publications

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“…More importantly, the ZT value will be increased from 0.74 to 0.92 with temperature increases from 300 to 700K. This value is comparable with the SiP 2 monolayer (0.9 at 700 K) [ 57 ], TiS 2 monolayer (0.95 at 300 K and an 8% tensile strain) [ 58 ], and WSSe monolayer (1.08 at 1500K and a 6% compressive strain) [ 48 ].…”

Section: Resultsmentioning

confidence: 80%

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Strain-Enhanced Thermoelectric Performance in GeS2 Monolayer

et al. 2022

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Strain engineering has attracted extensive attention as a valid method to tune the physical and chemical properties of two-dimensional (2D) materials. Here, based on first-principles calculations and by solving the semi-classical Boltzmann transport equation, we reveal that the tensile strain can efficiently enhance the thermoelectric properties of the GeS2 monolayer. It is highlighted that the GeS2 monolayer has a suitable band gap of 1.50 eV to overcome the bipolar conduction effects in materials and can even maintain high stability under a 6% tensile strain. Interestingly, the band degeneracy in the GeS2 monolayer can be effectually regulated through strain, thus improving the power factor. Moreover, the lattice thermal conductivity can be reduced from 3.89 to 0.48 W/mK at room temperature under 6% strain. More importantly, the optimal ZT value for the GeS2 monolayer under 6% strain can reach 0.74 at room temperature and 0.92 at 700 K, which is twice its strain-free form. Our findings provide an exciting insight into regulating the thermoelectric performance of the GeS2 monolayer by strain engineering.

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Section: Resultsmentioning

confidence: 80%

“…These consequences indicate that the tensile strain can effectively regulate the electronic structures of the GeS 2 monolayer. Therefore, an improvement in thermoelectric performance in the GeS 2 monolayer is anticipated [ 48 , 49 ].…”

Section: Resultsmentioning

confidence: 99%

Strain-Enhanced Thermoelectric Performance in GeS2 Monolayer

et al. 2022

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“…Furthermore, a significant enhancement of both absorption and reflectivity coefficients was observed in strained Janus monolayer PtSSe [32]. On the other hand, density functional theory shows that the thermoelectric efficiency, the electrons and hole effective masses of Janus WSSe monolayer can be tuned by biaxial strain [33, 34].…”

Section: Introductionmentioning

confidence: 99%

Strain effects on the structural, electronic, optical and thermoelectric properties of Si₂SeS monolayer with puckered honeycomb structure: A first‐principles study

Tamerd

Zanouni

Nid-bahami

et al. 2022

Int J of Quantum Chemistry

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In this paper, the first‐principles calculations based on the Density Functional Theory (DFT) have been used to study the effect of strain on the structural, electronic, optical and thermoelectric properties of the puckered Si2SeS monolayer. Our calculations show that the puckered Si2SeS monolayer has an indirect band gap of 1.30 eV at the equilibrium state, which can be tuned by biaxial strain and the semiconductor–metal phase transition occurs at −10%. Interestingly, a high absorption coefficient exceeds 107 cm−1 in the visible light region under compression biaxial strain was predicted. The electronic Figure of merit (ZTe) of puckered Si2SeS monolayer reaches 2.55 under the tensile biaxial strain of +6%. The presented results show the promising potential of puckered Si2SeS monolayer for optoelectronic and energy conversion applications.

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“…This Janus MoSSe monolayer does not possess the inversion symmetry because of two different chalcogens. Various electronic, optical, piezoelectric, magnetic, electrochemical, and sensing, − photocatalysis , and thermoelectric properties of such TMD based Janus monolayers are studied . The optoelectronic properties of TMD based Janus MXY monolayer are studied by Wang et al, and it was observed that these are suitable for solar cell application .…”

Section: Introductionmentioning

confidence: 99%

Heterostructure AZO/WSeTe/W(S/Se)₂ as an Efficient Single Junction Solar Cell with Ultrathin Janus WSeTe Buffer Layer

2021

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Transition metal dichalcogenides based materials exhibit promising optoelectronic properties for solar cell application. We considered the heterostructure single junction solar cell with bulk W(S/Se)2 as an absorber material and ultrathin Janus WSeTe layer as a buffer layer. The optoelectronic properties of WSeTe monolayer are calculated using density functional theory calculations. The high absorption coefficient of WS2/WSe2 makes them suitable absorber materials. The performance of layered single junction heterostructure is simulated using SCAPS-1D simulator. The device performance is evaluated to understand the effect of an absorber layer thickness, carrier concentration, defect density, work function, buffer layer carrier concentration, and interface defect density. After optimization of all the possible parameters, the maximum efficiencies noted are 18.87% and 18.1% for AZO/WSeTe/WS2 and AZO/WSeTe/WSe2 solar cells, respectively.

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Enhancing thermoelectric properties of Janus WSSe monolayer by inducing strain mediated valley degeneracy

Cited by 49 publications

References 48 publications

Strain-Enhanced Thermoelectric Performance in GeS2 Monolayer

Strain-Enhanced Thermoelectric Performance in GeS2 Monolayer

Strain effects on the structural, electronic, optical and thermoelectric properties of Si₂SeS monolayer with puckered honeycomb structure: A first‐principles study

Heterostructure AZO/WSeTe/W(S/Se)₂ as an Efficient Single Junction Solar Cell with Ultrathin Janus WSeTe Buffer Layer

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Enhancing thermoelectric properties of Janus WSSe monolayer by inducing strain mediated valley degeneracy

Cited by 49 publications

References 48 publications

Strain-Enhanced Thermoelectric Performance in GeS2 Monolayer

Strain-Enhanced Thermoelectric Performance in GeS2 Monolayer

Strain effects on the structural, electronic, optical and thermoelectric properties of Si2SeS monolayer with puckered honeycomb structure: A first‐principles study

Heterostructure AZO/WSeTe/W(S/Se)2 as an Efficient Single Junction Solar Cell with Ultrathin Janus WSeTe Buffer Layer

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Product

Resources

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Strain effects on the structural, electronic, optical and thermoelectric properties of Si₂SeS monolayer with puckered honeycomb structure: A first‐principles study

Heterostructure AZO/WSeTe/W(S/Se)₂ as an Efficient Single Junction Solar Cell with Ultrathin Janus WSeTe Buffer Layer