Matches in SemOpenAlex for { <https://semopenalex.org/work/W3136763801> ?p ?o ?g. }
- W3136763801 endingPage "122127" @default.
- W3136763801 startingPage "122127" @default.
- W3136763801 abstract "By means of density functional theory calculations, we investigated the structural, electronic, optical properties and photocatalytic activity of BaTa2O6, Ba2Ta15O32, Ba3Ta5O15 and Ba5Ta4O15 four barium tantalum oxides and made a comparative study of them. The results show that these four compounds are indirect band gap semiconductors and the interactions between atoms are weak. They show the superior absorption performance in the ultraviolet region, especially Ba2Ta15O32 and Ba3Ta5O15. Among the four compounds, BaTa2O6 and Ba3Ta5O15 have the electrons mobility and the recombination rate of the electron-hole pairs in the G→K and G→X directions, respectively. They have the superiority in degrading organic pollutants, especially BaTa2O6 on account of its highest valence band potential. Because of the excellent absorption performance and suitable band edge position, it is predicted that BaTa2O6, Ba3Ta5O15 and Ba5Ta4O15 should have the better photocatalytic activity compared with Ba2Ta15O32." @default.
- W3136763801 created "2021-03-29" @default.
- W3136763801 creator A5006272713 @default.
- W3136763801 creator A5031240146 @default.
- W3136763801 creator A5034049783 @default.
- W3136763801 creator A5053194944 @default.
- W3136763801 creator A5054671208 @default.
- W3136763801 creator A5056466755 @default.
- W3136763801 creator A5069111448 @default.
- W3136763801 date "2021-06-01" @default.
- W3136763801 modified "2023-10-16" @default.
- W3136763801 title "Density functional theory study on the structural, electronic, optical and photocatalytic properties of BaTa2O6, Ba2Ta15O32, Ba3Ta5O15 and Ba5Ta4O15" @default.
- W3136763801 cites W1566564972 @default.
- W3136763801 cites W1642013148 @default.
- W3136763801 cites W171106816 @default.
- W3136763801 cites W1906682345 @default.
- W3136763801 cites W1964470106 @default.
- W3136763801 cites W1970025315 @default.
- W3136763801 cites W1970425525 @default.
- W3136763801 cites W1975380518 @default.
- W3136763801 cites W1981368803 @default.
- W3136763801 cites W1981661768 @default.
- W3136763801 cites W1996021948 @default.
- W3136763801 cites W2003533963 @default.
- W3136763801 cites W2005888525 @default.
- W3136763801 cites W2010660479 @default.
- W3136763801 cites W2019467188 @default.
- W3136763801 cites W2030227890 @default.
- W3136763801 cites W2030687437 @default.
- W3136763801 cites W2036113194 @default.
- W3136763801 cites W2041202524 @default.
- W3136763801 cites W2042492216 @default.
- W3136763801 cites W2044673372 @default.
- W3136763801 cites W2048413551 @default.
- W3136763801 cites W2050480585 @default.
- W3136763801 cites W2062788479 @default.
- W3136763801 cites W2065162155 @default.
- W3136763801 cites W2071881279 @default.
- W3136763801 cites W2071965345 @default.
- W3136763801 cites W2083035917 @default.
- W3136763801 cites W2085093563 @default.
- W3136763801 cites W2087434238 @default.
- W3136763801 cites W2088380112 @default.
- W3136763801 cites W2093448264 @default.
- W3136763801 cites W2107874807 @default.
- W3136763801 cites W2110540540 @default.
- W3136763801 cites W2119585240 @default.
- W3136763801 cites W2121958253 @default.
- W3136763801 cites W2126674309 @default.
- W3136763801 cites W2134948063 @default.
- W3136763801 cites W2154903153 @default.
- W3136763801 cites W2154921785 @default.
- W3136763801 cites W2166244948 @default.
- W3136763801 cites W2168668224 @default.
- W3136763801 cites W2173435983 @default.
- W3136763801 cites W2180170940 @default.
- W3136763801 cites W2230728100 @default.
- W3136763801 cites W2261592192 @default.
- W3136763801 cites W2319965308 @default.
- W3136763801 cites W2326211165 @default.
- W3136763801 cites W2326760555 @default.
- W3136763801 cites W2329082341 @default.
- W3136763801 cites W2330077353 @default.
- W3136763801 cites W238228267 @default.
- W3136763801 cites W2409883276 @default.
- W3136763801 cites W2461811647 @default.
- W3136763801 cites W2473396585 @default.
- W3136763801 cites W2475746527 @default.
- W3136763801 cites W2512361160 @default.
- W3136763801 cites W2525722724 @default.
- W3136763801 cites W2589874671 @default.
- W3136763801 cites W2612233162 @default.
- W3136763801 cites W2785399511 @default.
- W3136763801 cites W2797752095 @default.
- W3136763801 cites W2800594374 @default.
- W3136763801 cites W2801791899 @default.
- W3136763801 cites W2803134960 @default.
- W3136763801 cites W2948674503 @default.
- W3136763801 cites W2951695363 @default.
- W3136763801 cites W2952726509 @default.
- W3136763801 cites W2992965881 @default.
- W3136763801 cites W3011289247 @default.
- W3136763801 cites W3022715664 @default.
- W3136763801 cites W3092683284 @default.
- W3136763801 doi "https://doi.org/10.1016/j.jssc.2021.122127" @default.
- W3136763801 hasPublicationYear "2021" @default.
- W3136763801 type Work @default.
- W3136763801 sameAs 3136763801 @default.
- W3136763801 citedByCount "4" @default.
- W3136763801 countsByYear W31367638012021 @default.
- W3136763801 countsByYear W31367638012022 @default.
- W3136763801 countsByYear W31367638012023 @default.
- W3136763801 crossrefType "journal-article" @default.
- W3136763801 hasAuthorship W3136763801A5006272713 @default.
- W3136763801 hasAuthorship W3136763801A5031240146 @default.
- W3136763801 hasAuthorship W3136763801A5034049783 @default.
- W3136763801 hasAuthorship W3136763801A5053194944 @default.
- W3136763801 hasAuthorship W3136763801A5054671208 @default.