FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3201974175> ?p ?o ?g. }

• W3201974175 endingPage "110931" @default.
• W3201974175 startingPage "110931" @default.
• W3201974175 abstract "A systematic investigation on the thermoelectric performance of newly predicted two-dimensional (2D) semiconducting SiS 2 and SiSe 2 monolayers has been carried out using density functional theory (DFT) based calculations and solving the Boltzmann transport equations (BTEs) for electrons and phonons. The electronic band structures and transport coefficients are calculated employing the Hybrid functional (HSE06) as exchange-correlation functional. High power factor (PF) and low value of lattice thermal conductivity ( k ph ) leads to a high thermoelectric figure of merit (zT) in monolayer SiS 2 and SiSe 2. Our theoretical investigation suggests that newly predicted semiconducting SiSe 2 and SiS 2 monolayers can be very promising thermoelectric materials. For high-efficiency thermoelectric power conversion, not only improvement of existing materials properties but also prediction and synthesis of new thermoelectric materials are needed. Here, we have carried out a systematic investigation on the thermoelectric performance of newly predicted two dimensional (2D) semiconducting SiS 2 and SiSe 2 monolayers using density functional theory (DFT) and solving the Boltzmann transport equations (BTEs) for electrons and phonons. Our computed value of lattice thermal conductivity ( k ph ) in SiSe 2 monolayer is ultralow, which results in a high thermoelectric figure of merit (zT) value of 0.86 (0.83) for p-type (n-type) at 900 K in SiSe 2 monolayer. While in SiS 2 monolayer, zT value are 0.77 (p-type) and 0.71 (n-type) at 900 K. The values of k ph are attributed to low group velocity, strong anharmonicity and phonon–phonon coupling of acoustic and low-frequency optical branches, leading to larger scattering, smaller mean free path, and shorter lifetime of phonons. It is also found that p-type doping is more effective than n-type doping to get optimal power factor (PF) and zT. Our findings suggest that newly predicted semiconducting SiSe 2 and SiS 2 monolayers can be very promising thermoelectric materials for the fabrication of high-efficiency thermoelectric power generators to convert waste heat into electricity." @default.
• W3201974175 created "2021-10-11" @default.
• W3201974175 creator A5016254695 @default.
• W3201974175 creator A5034062964 @default.
• W3201974175 creator A5046606296 @default.
• W3201974175 creator A5080534507 @default.
• W3201974175 creator A5090273093 @default.
• W3201974175 date "2022-01-01" @default.
• W3201974175 modified "2023-10-17" @default.
• W3201974175 title "Low lattice thermal conductivity and its role in the remarkable thermoelectric performance of newly predicted SiS2 and SiSe2 monolayers" @default.
• W3201974175 cites W1602127108 @default.
• W3201974175 cites W1754932684 @default.
• W3201974175 cites W1905330982 @default.
• W3201974175 cites W1964743759 @default.
• W3201974175 cites W1965904439 @default.
• W3201974175 cites W1965905995 @default.
• W3201974175 cites W1969672062 @default.
• W3201974175 cites W1970127494 @default.
• W3201974175 cites W1970966618 @default.
• W3201974175 cites W1972198310 @default.
• W3201974175 cites W1979150579 @default.
• W3201974175 cites W1979544533 @default.
• W3201974175 cites W1981135908 @default.
• W3201974175 cites W1981368803 @default.
• W3201974175 cites W1982176474 @default.
• W3201974175 cites W1982249321 @default.
• W3201974175 cites W1983954540 @default.
• W3201974175 cites W1994624727 @default.
• W3201974175 cites W1995997336 @default.
• W3201974175 cites W1998674161 @default.
• W3201974175 cites W2004942036 @default.
• W3201974175 cites W2011040444 @default.
• W3201974175 cites W2022515109 @default.
• W3201974175 cites W2023003113 @default.
• W3201974175 cites W2024966938 @default.
• W3201974175 cites W2040227709 @default.
• W3201974175 cites W2042056247 @default.
• W3201974175 cites W2045466112 @default.
• W3201974175 cites W2058122340 @default.
• W3201974175 cites W2067983335 @default.
• W3201974175 cites W2071965345 @default.
• W3201974175 cites W2072935319 @default.
• W3201974175 cites W2075496926 @default.
• W3201974175 cites W2076218685 @default.
• W3201974175 cites W2081870935 @default.
• W3201974175 cites W2083222334 @default.
• W3201974175 cites W2093778976 @default.
• W3201974175 cites W2120402361 @default.
• W3201974175 cites W2132041018 @default.
• W3201974175 cites W2151592156 @default.
• W3201974175 cites W2163857577 @default.
• W3201974175 cites W2168853948 @default.
• W3201974175 cites W2230728100 @default.
• W3201974175 cites W2260501105 @default.
• W3201974175 cites W2286027904 @default.
• W3201974175 cites W2483136963 @default.
• W3201974175 cites W2491602607 @default.
• W3201974175 cites W2526150553 @default.
• W3201974175 cites W2550507442 @default.
• W3201974175 cites W2564482156 @default.
• W3201974175 cites W2570839566 @default.
• W3201974175 cites W2588412081 @default.
• W3201974175 cites W2598159493 @default.
• W3201974175 cites W2734891126 @default.
• W3201974175 cites W2763142181 @default.
• W3201974175 cites W2767698201 @default.
• W3201974175 cites W2767969352 @default.
• W3201974175 cites W2781971171 @default.
• W3201974175 cites W2798766668 @default.
• W3201974175 cites W2902030802 @default.
• W3201974175 cites W2942341414 @default.
• W3201974175 cites W2947718537 @default.
• W3201974175 cites W2962924796 @default.
• W3201974175 cites W2969138054 @default.
• W3201974175 cites W3000943275 @default.
• W3201974175 cites W3048345342 @default.
• W3201974175 cites W3048483806 @default.
• W3201974175 cites W3101390145 @default.
• W3201974175 cites W3151548247 @default.
• W3201974175 cites W4252605489 @default.
• W3201974175 doi "https://doi.org/10.1016/j.commatsci.2021.110931" @default.
• W3201974175 hasPublicationYear "2022" @default.
• W3201974175 type Work @default.
• W3201974175 sameAs 3201974175 @default.
• W3201974175 citedByCount "8" @default.
• W3201974175 countsByYear W32019741752022 @default.
• W3201974175 countsByYear W32019741752023 @default.
• W3201974175 crossrefType "journal-article" @default.
• W3201974175 hasAuthorship W3201974175A5016254695 @default.
• W3201974175 hasAuthorship W3201974175A5034062964 @default.
• W3201974175 hasAuthorship W3201974175A5046606296 @default.
• W3201974175 hasAuthorship W3201974175A5080534507 @default.
• W3201974175 hasAuthorship W3201974175A5090273093 @default.
• W3201974175 hasConcept C112625512 @default.
• W3201974175 hasConcept C121332964 @default.
• W3201974175 hasConcept C130277099 @default.
• W3201974175 hasConcept C147597530 @default.
• W3201974175 hasConcept C152365726 @default.

• next