Matches in SemOpenAlex for { <https://semopenalex.org/work/W2998536419> ?p ?o ?g. }
- W2998536419 endingPage "109818" @default.
- W2998536419 startingPage "109818" @default.
- W2998536419 abstract "Ternary chalcogenides have been of recent investigation for applications in photovoltaic and thermoelectric devices. We study the structural, electronic, optical, and thermoelectric properties of nine ternary chalcogenides, NaAX$_{2}$, where A represents pnictogens (As, Sb, and Te) and X represents chalcogens (S, Se, and Te). Calculations based on density functional theory yield the following results: (i) phonon dispersion curves predict three of the compounds, NaAsS$_{2}$, NaSbS$_{2}$, and NaSbSe$_{2}$, to be dynamically stable in the monoclinic, C2/c, structure, (ii) the layered atomistic configuration causes the corresponding electronic and optical properties to display a high degree of anisotropy, (iii) A-X electronic bonding features vary significantly with structural distortions arising from atomic size mismatch, therefore directly influencing stability, (iv) strong absorption is observed in the stable compounds, with coefficients ranging from 10$^{4}$ to 10$^{5}$ cm$^{-1}$ in the visible-UV range, and (v) remarkably high Seebeck coefficients exceeding 500 ${mu}$V/K at carrier concentrations commonly achieved in such materials. From these results, we conclude that NaAsS$_{2}$, NaSbS$_{2}$, and NaSbSe$_{2}$ are suitable candidates for both photovoltaic, particularly in tandem solar cells, and thermoelectric applications. Experimental synthesis and verification are suggested." @default.
- W2998536419 created "2020-01-10" @default.
- W2998536419 creator A5015841512 @default.
- W2998536419 creator A5021228636 @default.
- W2998536419 creator A5041928863 @default.
- W2998536419 creator A5062173224 @default.
- W2998536419 date "2020-10-01" @default.
- W2998536419 modified "2023-10-16" @default.
- W2998536419 title "Electronic, optical, and thermoelectric properties of sodium pnictogen chalcogenides: A first principles study" @default.
- W2998536419 cites W1616116040 @default.
- W2998536419 cites W1776119785 @default.
- W2998536419 cites W1964690210 @default.
- W2998536419 cites W1965127276 @default.
- W2998536419 cites W1970127494 @default.
- W2998536419 cites W1971117792 @default.
- W2998536419 cites W1979544533 @default.
- W2998536419 cites W1982827563 @default.
- W2998536419 cites W1986576442 @default.
- W2998536419 cites W1992985800 @default.
- W2998536419 cites W1994880295 @default.
- W2998536419 cites W2003857111 @default.
- W2998536419 cites W2007395042 @default.
- W2998536419 cites W2008601649 @default.
- W2998536419 cites W2013782770 @default.
- W2998536419 cites W2014980053 @default.
- W2998536419 cites W2015054800 @default.
- W2998536419 cites W2021686221 @default.
- W2998536419 cites W2025846731 @default.
- W2998536419 cites W2028056984 @default.
- W2998536419 cites W2029637177 @default.
- W2998536419 cites W2030841140 @default.
- W2998536419 cites W2031019109 @default.
- W2998536419 cites W2036113194 @default.
- W2998536419 cites W2045466112 @default.
- W2998536419 cites W2045683566 @default.
- W2998536419 cites W2046979465 @default.
- W2998536419 cites W2047877383 @default.
- W2998536419 cites W2052477458 @default.
- W2998536419 cites W2057327293 @default.
- W2998536419 cites W2062370607 @default.
- W2998536419 cites W2065522037 @default.
- W2998536419 cites W2071265202 @default.
- W2998536419 cites W2075699404 @default.
- W2998536419 cites W2078764582 @default.
- W2998536419 cites W2079105963 @default.
- W2998536419 cites W2081870935 @default.
- W2998536419 cites W2083222334 @default.
- W2998536419 cites W2087698390 @default.
- W2998536419 cites W2088043604 @default.
- W2998536419 cites W2088332429 @default.
- W2998536419 cites W2104725263 @default.
- W2998536419 cites W2108461878 @default.
- W2998536419 cites W2109585218 @default.
- W2998536419 cites W2120402361 @default.
- W2998536419 cites W2126383912 @default.
- W2998536419 cites W2132687863 @default.
- W2998536419 cites W2147369958 @default.
- W2998536419 cites W2167590372 @default.
- W2998536419 cites W2169498876 @default.
- W2998536419 cites W2197729945 @default.
- W2998536419 cites W2282942319 @default.
- W2998536419 cites W2316818388 @default.
- W2998536419 cites W2322232911 @default.
- W2998536419 cites W2338839614 @default.
- W2998536419 cites W2484219582 @default.
- W2998536419 cites W2546886555 @default.
- W2998536419 cites W2552565367 @default.
- W2998536419 cites W2556290125 @default.
- W2998536419 cites W2604175508 @default.
- W2998536419 cites W2620922217 @default.
- W2998536419 cites W2758053709 @default.
- W2998536419 cites W2763142181 @default.
- W2998536419 cites W2776829364 @default.
- W2998536419 cites W2790684710 @default.
- W2998536419 cites W2798766668 @default.
- W2998536419 cites W2799946470 @default.
- W2998536419 cites W2801835981 @default.
- W2998536419 cites W2802735349 @default.
- W2998536419 cites W2897532157 @default.
- W2998536419 cites W2901086968 @default.
- W2998536419 cites W2910917173 @default.
- W2998536419 cites W2915830224 @default.
- W2998536419 cites W2951316279 @default.
- W2998536419 cites W2963721504 @default.
- W2998536419 cites W2966681579 @default.
- W2998536419 cites W2969701350 @default.
- W2998536419 cites W2970807487 @default.
- W2998536419 cites W2972004931 @default.
- W2998536419 cites W2973523904 @default.
- W2998536419 cites W2974691724 @default.
- W2998536419 cites W2986130703 @default.
- W2998536419 cites W3101733383 @default.
- W2998536419 cites W3178245316 @default.
- W2998536419 cites W3206606417 @default.
- W2998536419 cites W832976576 @default.
- W2998536419 doi "https://doi.org/10.1016/j.commatsci.2020.109818" @default.
- W2998536419 hasPublicationYear "2020" @default.
- W2998536419 type Work @default.