Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Pyrochlore phase in the Bi2O3‒Na2O‒Fe2O3‒WO3‒(H2O) system: crystal structure and energy band diagram depending on chemical composition. / Lomakin, M.S.; Proskurina, O.V.; Levin, A.A.; Kozlov, S.S.; Semenov, V.G.; Kozlov, V.S.; Koroleva, А.; Zhizhin, E.V.; Shevaleevskiy, O.I.
в: Ceramics International, Том 51, № 25, 01.10.2025, стр. 43488-43510.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Pyrochlore phase in the Bi2O3‒Na2O‒Fe2O3‒WO3‒(H2O) system: crystal structure and energy band diagram depending on chemical composition
AU - Lomakin, M.S.
AU - Proskurina, O.V.
AU - Levin, A.A.
AU - Kozlov, S.S.
AU - Semenov, V.G.
AU - Kozlov, V.S.
AU - Koroleva, А.
AU - Zhizhin, E.V.
AU - Shevaleevskiy, O.I.
N1 - Export Date: 01 November 2025; Cited By: 0; Correspondence Address: M.S. Lomakin; Ioffe Institute, St. Petersburg, 26, Politekhnicheskaya St., 194021, Russian Federation; email: lomakinmakariy@mail.ioffe.ru; CODEN: CINND
PY - 2025/10/1
Y1 - 2025/10/1
N2 - Semiconductor compounds with cubic pyrochlore structure A2B2O6O', obtained in a wide range of compositions in the Bi2O3–Na2O–Fe2O3–WO3system by the hydrothermal method (T = 200 °C, P ∼ 7 MPa, pH ∼ 5), were studied by powder XRD, EDX microanalysis, SEM, Mössbauer spectroscopy, diffuse reflectance spectroscopy, X-ray and ultraviolet photoelectron spectroscopy techniques.It was shown that metal atoms are distributed over structurally non-equivalent positions as follows: (Bi, Na, □)2(Fe, W)2O6O'δ(□ are cation vacancies). The static displacements of atoms from the “ideal” Wyckoff positions (Bi3+cations (16d→96g) and oxygen anions (8b→32e)) were detected in the A2O' sublattice.The band gap value (Eg) for the indirect allowed electronic transitions, as well as the energetic position of valence band maximum (EVBM) and conduction band minimum (ECBM) relative to the vacuum level, do not depend on the chemical composition of the obtained pyrochlores within the error limits and amount to ∼2.1 eV, −5.9 eV, and −3.8 eV, respectively. © 2025 Elsevier B.V., All rights reserved.
AB - Semiconductor compounds with cubic pyrochlore structure A2B2O6O', obtained in a wide range of compositions in the Bi2O3–Na2O–Fe2O3–WO3system by the hydrothermal method (T = 200 °C, P ∼ 7 MPa, pH ∼ 5), were studied by powder XRD, EDX microanalysis, SEM, Mössbauer spectroscopy, diffuse reflectance spectroscopy, X-ray and ultraviolet photoelectron spectroscopy techniques.It was shown that metal atoms are distributed over structurally non-equivalent positions as follows: (Bi, Na, □)2(Fe, W)2O6O'δ(□ are cation vacancies). The static displacements of atoms from the “ideal” Wyckoff positions (Bi3+cations (16d→96g) and oxygen anions (8b→32e)) were detected in the A2O' sublattice.The band gap value (Eg) for the indirect allowed electronic transitions, as well as the energetic position of valence band maximum (EVBM) and conduction band minimum (ECBM) relative to the vacuum level, do not depend on the chemical composition of the obtained pyrochlores within the error limits and amount to ∼2.1 eV, −5.9 eV, and −3.8 eV, respectively. © 2025 Elsevier B.V., All rights reserved.
KW - Crystal structure
KW - Energy band diagram
KW - Hydrothermal synthesis
KW - Pyrochlore
KW - Semiconductor
KW - Band diagram
KW - Boron compounds
KW - Energy gap
KW - Iron oxides
KW - Mossbauer spectroscopy
KW - Negative ions
KW - Positive ions
KW - Semiconducting bismuth compounds
KW - Sodium compounds
KW - Tungsten compounds
KW - X ray photoelectron spectroscopy
KW - Chemical compositions
KW - Crystals structures
KW - Cubic pyrochlore structure
KW - EDX microanalysis
KW - Energy-band diagram
KW - Hydrothermal methods
KW - Powder XRD
KW - Pyrochlore phasis
KW - Pyrochlores
KW - Semiconductor compounds
UR - https://www.mendeley.com/catalogue/3d46ec3c-f376-3af9-ae44-fa8949bb962d/
U2 - 10.1016/j.ceramint.2025.06.323
DO - 10.1016/j.ceramint.2025.06.323
M3 - статья
VL - 51
SP - 43488
EP - 43510
JO - Ceramics International
JF - Ceramics International
SN - 0272-8842
IS - 25
ER -
ID: 143728957