Calculations within DFT framework of the electronic and optical properties of quaternary sulfide Tl2PbSiS4, a prospective optoelectronic semiconductor
Sign Up to like & getrecommendations! Published in 2019 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2019.e00392
Abstract: Abstract We report results of computation within framework of density functional theory (DFT) of the electronic band-structure of quaternary thallium lead silicon sulfide, Tl2PbSiS4. Especially, we employ different approaches for exchange correlation (XC) potential to… read more here.
Keywords: sulfide tl2pbsis4; quaternary sulfide; dft framework; calculations within ... See more keywords
Ba3HgGa2S7: A Zero-Dimensional Quaternary Sulfide Featuring a Unique [Hg2Ga4S14]12- String and Exhibiting a High Photocurrent Response.
Sign Up to like & getrecommendations! Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.2c01678
Abstract: The discovery of new types of metal sulfides is attractive because of their rich structures and diverse physical properties. Here, a novel quaternary sulfide, Ba3HgGa2S7 (BHGS), is obtained by a solid-state reaction at 1123 K.… read more here.
Keywords: hg2ga4s14 string; quaternary sulfide; photocurrent response; zero dimensional ... See more keywords
Phosphorus-Doped Single-Crystalline Quaternary Sulfide Nanobelts Enable Efficient Visible-Light Photocatalytic Hydrogen Evolution.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c07313
Abstract: Facilitating charge separation and transport of semiconductors is pivotal to improving their solar-to-hydrogen conversion efficiency. To this end, manipulating the charge dynamics via element doping has attracted much attentions. Here, we doped phosphorus (P) into… read more here.
Keywords: hydrogen; photocatalytic hydrogen; quaternary sulfide; crystalline quaternary ... See more keywords