Bismuth zinc vanadate, BiZn2VO6: New crystal structure type and electronic structure
We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated...
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| Autor*in: |
Eliziario Nunes, Sayonara [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2015transfer abstract |
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| Umfang: |
6 |
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| Übergeordnetes Werk: |
Enthalten in: Numerical analysis of wind turbines blade in deep dynamic stall - Karbasian, Hamid Reza ELSEVIER, 2022, Orlando, Fla |
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| Übergeordnetes Werk: |
volume:222 ; year:2015 ; pages:12-17 ; extent:6 |
| Links: |
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| DOI / URN: |
10.1016/j.jssc.2014.10.036 |
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ELV018906818 |
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| 520 | |a We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn2VO6 adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO4 tetrahedra, ZnO6 octahedra and VO4 tetrahedra, and Bi2O12 dimers. It is the only known member of the BiM2AO6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn2VO6, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6eV, which compares favourably to the experimentally measured value of 2.4eV. | ||
| 520 | |a We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn2VO6 adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO4 tetrahedra, ZnO6 octahedra and VO4 tetrahedra, and Bi2O12 dimers. It is the only known member of the BiM2AO6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn2VO6, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6eV, which compares favourably to the experimentally measured value of 2.4eV. | ||
| 650 | 7 | |a Functional oxides |2 Elsevier | |
| 650 | 7 | |a Photocatalysts |2 Elsevier | |
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| 700 | 1 | |a Wang, Chun-Hai |4 oth | |
| 700 | 1 | |a So, Karwei |4 oth | |
| 700 | 1 | |a Evans, John S.O. |4 oth | |
| 700 | 1 | |a Evans, Ivana Radosavljević |4 oth | |
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10.1016/j.jssc.2014.10.036 doi GBV00000000000198A.pica (DE-627)ELV018906818 (ELSEVIER)S0022-4596(14)00479-4 DE-627 ger DE-627 rakwb eng 540 540 DE-600 530 620 VZ 52.56 bkl Eliziario Nunes, Sayonara verfasserin aut Bismuth zinc vanadate, BiZn2VO6: New crystal structure type and electronic structure 2015transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn2VO6 adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO4 tetrahedra, ZnO6 octahedra and VO4 tetrahedra, and Bi2O12 dimers. It is the only known member of the BiM2AO6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn2VO6, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6eV, which compares favourably to the experimentally measured value of 2.4eV. We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn2VO6 adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO4 tetrahedra, ZnO6 octahedra and VO4 tetrahedra, and Bi2O12 dimers. It is the only known member of the BiM2AO6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn2VO6, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6eV, which compares favourably to the experimentally measured value of 2.4eV. Functional oxides Elsevier Photocatalysts Elsevier Powder X-ray diffraction Elsevier Wang, Chun-Hai oth So, Karwei oth Evans, John S.O. oth Evans, Ivana Radosavljević oth Enthalten in Academic Press Karbasian, Hamid Reza ELSEVIER Numerical analysis of wind turbines blade in deep dynamic stall 2022 Orlando, Fla (DE-627)ELV008417474 volume:222 year:2015 pages:12-17 extent:6 https://doi.org/10.1016/j.jssc.2014.10.036 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 52.56 Regenerative Energieformen alternative Energieformen VZ AR 222 2015 12-17 6 045F 540 |
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10.1016/j.jssc.2014.10.036 doi GBV00000000000198A.pica (DE-627)ELV018906818 (ELSEVIER)S0022-4596(14)00479-4 DE-627 ger DE-627 rakwb eng 540 540 DE-600 530 620 VZ 52.56 bkl Eliziario Nunes, Sayonara verfasserin aut Bismuth zinc vanadate, BiZn2VO6: New crystal structure type and electronic structure 2015transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn2VO6 adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO4 tetrahedra, ZnO6 octahedra and VO4 tetrahedra, and Bi2O12 dimers. It is the only known member of the BiM2AO6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn2VO6, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6eV, which compares favourably to the experimentally measured value of 2.4eV. We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn2VO6 adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO4 tetrahedra, ZnO6 octahedra and VO4 tetrahedra, and Bi2O12 dimers. It is the only known member of the BiM2AO6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn2VO6, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6eV, which compares favourably to the experimentally measured value of 2.4eV. Functional oxides Elsevier Photocatalysts Elsevier Powder X-ray diffraction Elsevier Wang, Chun-Hai oth So, Karwei oth Evans, John S.O. oth Evans, Ivana Radosavljević oth Enthalten in Academic Press Karbasian, Hamid Reza ELSEVIER Numerical analysis of wind turbines blade in deep dynamic stall 2022 Orlando, Fla (DE-627)ELV008417474 volume:222 year:2015 pages:12-17 extent:6 https://doi.org/10.1016/j.jssc.2014.10.036 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 52.56 Regenerative Energieformen alternative Energieformen VZ AR 222 2015 12-17 6 045F 540 |
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10.1016/j.jssc.2014.10.036 doi GBV00000000000198A.pica (DE-627)ELV018906818 (ELSEVIER)S0022-4596(14)00479-4 DE-627 ger DE-627 rakwb eng 540 540 DE-600 530 620 VZ 52.56 bkl Eliziario Nunes, Sayonara verfasserin aut Bismuth zinc vanadate, BiZn2VO6: New crystal structure type and electronic structure 2015transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn2VO6 adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO4 tetrahedra, ZnO6 octahedra and VO4 tetrahedra, and Bi2O12 dimers. It is the only known member of the BiM2AO6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn2VO6, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6eV, which compares favourably to the experimentally measured value of 2.4eV. We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn2VO6 adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO4 tetrahedra, ZnO6 octahedra and VO4 tetrahedra, and Bi2O12 dimers. It is the only known member of the BiM2AO6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn2VO6, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6eV, which compares favourably to the experimentally measured value of 2.4eV. Functional oxides Elsevier Photocatalysts Elsevier Powder X-ray diffraction Elsevier Wang, Chun-Hai oth So, Karwei oth Evans, John S.O. oth Evans, Ivana Radosavljević oth Enthalten in Academic Press Karbasian, Hamid Reza ELSEVIER Numerical analysis of wind turbines blade in deep dynamic stall 2022 Orlando, Fla (DE-627)ELV008417474 volume:222 year:2015 pages:12-17 extent:6 https://doi.org/10.1016/j.jssc.2014.10.036 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 52.56 Regenerative Energieformen alternative Energieformen VZ AR 222 2015 12-17 6 045F 540 |
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10.1016/j.jssc.2014.10.036 doi GBV00000000000198A.pica (DE-627)ELV018906818 (ELSEVIER)S0022-4596(14)00479-4 DE-627 ger DE-627 rakwb eng 540 540 DE-600 530 620 VZ 52.56 bkl Eliziario Nunes, Sayonara verfasserin aut Bismuth zinc vanadate, BiZn2VO6: New crystal structure type and electronic structure 2015transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn2VO6 adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO4 tetrahedra, ZnO6 octahedra and VO4 tetrahedra, and Bi2O12 dimers. It is the only known member of the BiM2AO6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn2VO6, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6eV, which compares favourably to the experimentally measured value of 2.4eV. We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn2VO6 adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO4 tetrahedra, ZnO6 octahedra and VO4 tetrahedra, and Bi2O12 dimers. It is the only known member of the BiM2AO6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn2VO6, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6eV, which compares favourably to the experimentally measured value of 2.4eV. Functional oxides Elsevier Photocatalysts Elsevier Powder X-ray diffraction Elsevier Wang, Chun-Hai oth So, Karwei oth Evans, John S.O. oth Evans, Ivana Radosavljević oth Enthalten in Academic Press Karbasian, Hamid Reza ELSEVIER Numerical analysis of wind turbines blade in deep dynamic stall 2022 Orlando, Fla (DE-627)ELV008417474 volume:222 year:2015 pages:12-17 extent:6 https://doi.org/10.1016/j.jssc.2014.10.036 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 52.56 Regenerative Energieformen alternative Energieformen VZ AR 222 2015 12-17 6 045F 540 |
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10.1016/j.jssc.2014.10.036 doi GBV00000000000198A.pica (DE-627)ELV018906818 (ELSEVIER)S0022-4596(14)00479-4 DE-627 ger DE-627 rakwb eng 540 540 DE-600 530 620 VZ 52.56 bkl Eliziario Nunes, Sayonara verfasserin aut Bismuth zinc vanadate, BiZn2VO6: New crystal structure type and electronic structure 2015transfer abstract 6 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn2VO6 adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO4 tetrahedra, ZnO6 octahedra and VO4 tetrahedra, and Bi2O12 dimers. It is the only known member of the BiM2AO6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn2VO6, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6eV, which compares favourably to the experimentally measured value of 2.4eV. We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn2VO6 adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO4 tetrahedra, ZnO6 octahedra and VO4 tetrahedra, and Bi2O12 dimers. It is the only known member of the BiM2AO6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn2VO6, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6eV, which compares favourably to the experimentally measured value of 2.4eV. Functional oxides Elsevier Photocatalysts Elsevier Powder X-ray diffraction Elsevier Wang, Chun-Hai oth So, Karwei oth Evans, John S.O. oth Evans, Ivana Radosavljević oth Enthalten in Academic Press Karbasian, Hamid Reza ELSEVIER Numerical analysis of wind turbines blade in deep dynamic stall 2022 Orlando, Fla (DE-627)ELV008417474 volume:222 year:2015 pages:12-17 extent:6 https://doi.org/10.1016/j.jssc.2014.10.036 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 52.56 Regenerative Energieformen alternative Energieformen VZ AR 222 2015 12-17 6 045F 540 |
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Enthalten in Numerical analysis of wind turbines blade in deep dynamic stall Orlando, Fla volume:222 year:2015 pages:12-17 extent:6 |
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Numerical analysis of wind turbines blade in deep dynamic stall |
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We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn2VO6 adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO4 tetrahedra, ZnO6 octahedra and VO4 tetrahedra, and Bi2O12 dimers. It is the only known member of the BiM2AO6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn2VO6, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6eV, which compares favourably to the experimentally measured value of 2.4eV. |
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We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn2VO6 adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO4 tetrahedra, ZnO6 octahedra and VO4 tetrahedra, and Bi2O12 dimers. It is the only known member of the BiM2AO6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn2VO6, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6eV, which compares favourably to the experimentally measured value of 2.4eV. |
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We report a combined experimental and computational study of the crystal structure and electronic properties of bismuth zinc vanadate, BiZn2VO6, known for its visible light photocatalytic activity. The crystal structure has been solved from laboratory powder X-ray diffraction data using the repeated minimisations from random starting values method. BiZn2VO6 adopts a new structure type, based on the following building blocks: corner- and edge-sharing ZnO4 tetrahedra, ZnO6 octahedra and VO4 tetrahedra, and Bi2O12 dimers. It is the only known member of the BiM2AO6 (M=Pb, Ca, Cd, Mn, Zn, Mg, Cu; A=V, P, As) family which does not appear to be structurally closely related to others. The electronic structure of BiZn2VO6, calculated by DFT methods, shows that it is an indirect gap semiconductor with a calculated band gap of 1.6eV, which compares favourably to the experimentally measured value of 2.4eV. |
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