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• W3048597052 abstract "The photocatalytic properties of Bi2–xTi2O7–1.5x (x = 0, 0.5) pyrochlores are examined via ab initio calculations and experiments. A coprecipitation method is applied for the synthesis of nanopowder pyrochlores. The pyrochlore phase formation starts at 500 °C (Bi2Ti2O7) and 550 °C (Bi1.5Ti2O6.25). Nanopowders are found to be a metastable character of pyrochlore phases. The presence of bismuth and oxygen vacancies enhances the thermal stability of the Bi1.5Ti2O6.25 phase in comparison with the Bi2Ti2O7 phase. The estimated crystallite size is 30–40 nm with noticeable agglomerates of about 100–300 nm according to scanning electron microscopy (SEM) and with the formation of particles (510–580 nm) in the aqueous medium. The isoelectric points of the nanopowders seem to be shifted to the strongly acidic region, resulting in the formation of negative surface particle charges of −33 mV (Bi2Ti2O7) and −27 mV (Bi1.5Ti2O6.25) at pH 5.88 in distilled water. The specific surface area is 11.5 m2/g (Bi2Ti2O7) and 12.00 m2/g (Bi1.5Ti2O6.25). The use of the generalized gradient approximation (GGA) with the Perdew–Burke–Ernzerhof (PBE) functional allows achieving an excellent agreement between theoretical and experimental structural parameters. The screened Coulomb hybrid HSE03 functional is the most appropriate for describing the optoelectronic properties. Bismuth titanate pyrochlores are wide-gap semiconductors with strong abilities to be active photocatalysts under visible irradiation. The optical Eg values for direct/indirect transition according to the experiment, 3.19/2.94 eV (x = 0) and 3.24/3.03 eV (x = 0.5), and the DFT/HSE03 calculations, 2.92/2.87 (x = 0) and 3.42/– eV (x = 0.5), are in the visible light region and are close. The calculated low effective masses of the charge carriers and suitable band edge positions confirm the ability of the pyrochlores to act as photocatalysts. The photocatalytic activity has been evaluated through the decomposition of rhodamine B under visible irradiation. Bi2Ti2O7 shows the highest activity in comparison with Bi1.5Ti2O6.25, which is in good agreement with theoretically predicted and experimentally revealed characteristics." @default.
• W3048597052 created "2020-08-18" @default.
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• W3048597052 date "2020-08-10" @default.
• W3048597052 modified "2023-10-02" @default.
• W3048597052 title "Photocatalytic Properties of Bi_2–<i>x</i>Ti₂O_{7–1.5<i>x</i>} (<i>x</i> = 0, 0.5) Pyrochlores: Hybrid DFT Calculations and Experimental Study" @default.
• W3048597052 cites W1468773295 @default.
• W3048597052 cites W1868849675 @default.
• W3048597052 cites W1971139639 @default.
• W3048597052 cites W1974739323 @default.
• W3048597052 cites W1976927697 @default.
• W3048597052 cites W1979544533 @default.
• W3048597052 cites W1981368803 @default.
• W3048597052 cites W1991192698 @default.
• W3048597052 cites W1993912236 @default.
• W3048597052 cites W1998981899 @default.
• W3048597052 cites W2003533963 @default.
• W3048597052 cites W2019509723 @default.
• W3048597052 cites W2023390323 @default.
• W3048597052 cites W2024876634 @default.
• W3048597052 cites W2028056984 @default.
• W3048597052 cites W2034687362 @default.
• W3048597052 cites W2041528898 @default.
• W3048597052 cites W2045485037 @default.
• W3048597052 cites W2047877383 @default.
• W3048597052 cites W2054543546 @default.
• W3048597052 cites W2054834547 @default.
• W3048597052 cites W205791822 @default.
• W3048597052 cites W2071965345 @default.
• W3048597052 cites W2076462975 @default.
• W3048597052 cites W2078661004 @default.
• W3048597052 cites W2081806927 @default.
• W3048597052 cites W2083222334 @default.
• W3048597052 cites W2085093563 @default.
• W3048597052 cites W2093792795 @default.
• W3048597052 cites W2094316958 @default.
• W3048597052 cites W2105708469 @default.
• W3048597052 cites W2114180051 @default.
• W3048597052 cites W2139527162 @default.
• W3048597052 cites W2154001996 @default.
• W3048597052 cites W2161271588 @default.
• W3048597052 cites W2320755750 @default.
• W3048597052 cites W2328200158 @default.
• W3048597052 cites W2332223790 @default.
• W3048597052 cites W2466274421 @default.
• W3048597052 cites W2470622260 @default.
• W3048597052 cites W2471561406 @default.
• W3048597052 cites W2512127167 @default.
• W3048597052 cites W2588587876 @default.
• W3048597052 cites W2588639803 @default.
• W3048597052 cites W2602932396 @default.
• W3048597052 cites W2732639656 @default.
• W3048597052 cites W2745173450 @default.
• W3048597052 cites W2747077635 @default.
• W3048597052 cites W2747887113 @default.
• W3048597052 cites W2761344622 @default.
• W3048597052 cites W2783155164 @default.
• W3048597052 cites W2790578061 @default.
• W3048597052 cites W2790907917 @default.
• W3048597052 cites W2800929201 @default.
• W3048597052 cites W2886249949 @default.
• W3048597052 cites W2890049799 @default.
• W3048597052 cites W2902107533 @default.
• W3048597052 cites W2911631504 @default.
• W3048597052 cites W2913962583 @default.
• W3048597052 cites W2915468514 @default.
• W3048597052 cites W2921851167 @default.
• W3048597052 cites W2930386290 @default.
• W3048597052 cites W2933704938 @default.
• W3048597052 cites W2939090089 @default.
• W3048597052 cites W2944216161 @default.
• W3048597052 cites W2945370395 @default.
• W3048597052 cites W2946571760 @default.
• W3048597052 cites W2950873748 @default.
• W3048597052 cites W2950891648 @default.
• W3048597052 cites W2955370071 @default.
• W3048597052 cites W2960066398 @default.
• W3048597052 cites W2982325945 @default.
• W3048597052 cites W3000892696 @default.
• W3048597052 cites W3002610557 @default.
• W3048597052 cites W3003799913 @default.
• W3048597052 cites W3101391255 @default.
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• W3048597052 doi "https://doi.org/10.1021/acs.inorgchem.0c01472" @default.
• W3048597052 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32806001" @default.
• W3048597052 hasPublicationYear "2020" @default.
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