Theoretical and experimental study of polycrystalline phases obtained by the nanometric ZnTiO3 powder sintering
Апстракт
In this study we have combined two research methods: structure prediction of ZnTiO3 using computational SPuDS software, and the characterization of binary oxides obtained from ZnO TiO2 system. Pure nanosized ZnTiO3 (99.5%), was compacted in cylindrical shape specimens by uniaxial double sided compaction and then sintered in air atmosphere in a dilatometric device [1,2]. One compact was sintered up to 915 °C to retain metastabile ZnTiO3 and held 5 minutes on that temperature, and another one at the same conditions, but now up to 970 °C to induce phase transition and to obtain stabile Zn2TiO4 and TiO2 according to phase diagram [2]. Reheated samples obtained at different characteristic temperatures in air were analyzed by X-ray diffraction (XRD). The infrared attenuated total reflectivity measurements confirmed XRD results. In order to estimate theoretical stability of these perovskite structure, Goldschmidt tolerance factor Gt and global instability index GII were calculated. Furthermor...e, the Ti valence states were determined by bond valence calculations (BVC). Also, we have investigated the formation of new phases (Zn2Ti3O8, TiO2 and Zn2TiO4) originating from ZnTiO3 with temperature change, as well as the relation between the crystal structures which have been predicted and the structure of the phases we have experimentally observed.
Извор:
5CSCS : 5th Serbian Ceramic Society Conference : programme and the book of abstracts; June 11-13; Belgrade, 2019, 110-Издавач:
- Belgrade : Institute for Multidisciplinary Research
Колекције
Институција/група
VinčaTY - CONF AU - Labus, Nebojša AU - Rosić, Milena AU - Čebela, Maria AU - Jordanov, Dragana AU - Dodevski, Dragan AU - Radović, Ivana PY - 2019 UR - https://vinar.vin.bg.ac.rs/handle/123456789/11493 AB - In this study we have combined two research methods: structure prediction of ZnTiO3 using computational SPuDS software, and the characterization of binary oxides obtained from ZnO TiO2 system. Pure nanosized ZnTiO3 (99.5%), was compacted in cylindrical shape specimens by uniaxial double sided compaction and then sintered in air atmosphere in a dilatometric device [1,2]. One compact was sintered up to 915 °C to retain metastabile ZnTiO3 and held 5 minutes on that temperature, and another one at the same conditions, but now up to 970 °C to induce phase transition and to obtain stabile Zn2TiO4 and TiO2 according to phase diagram [2]. Reheated samples obtained at different characteristic temperatures in air were analyzed by X-ray diffraction (XRD). The infrared attenuated total reflectivity measurements confirmed XRD results. In order to estimate theoretical stability of these perovskite structure, Goldschmidt tolerance factor Gt and global instability index GII were calculated. Furthermore, the Ti valence states were determined by bond valence calculations (BVC). Also, we have investigated the formation of new phases (Zn2Ti3O8, TiO2 and Zn2TiO4) originating from ZnTiO3 with temperature change, as well as the relation between the crystal structures which have been predicted and the structure of the phases we have experimentally observed. PB - Belgrade : Institute for Multidisciplinary Research C3 - 5CSCS : 5th Serbian Ceramic Society Conference : programme and the book of abstracts; June 11-13; Belgrade T1 - Theoretical and experimental study of polycrystalline phases obtained by the nanometric ZnTiO3 powder sintering SP - 110 UR - https://hdl.handle.net/21.15107/rcub_vinar_11493 ER -
@conference{ author = "Labus, Nebojša and Rosić, Milena and Čebela, Maria and Jordanov, Dragana and Dodevski, Dragan and Radović, Ivana", year = "2019", abstract = "In this study we have combined two research methods: structure prediction of ZnTiO3 using computational SPuDS software, and the characterization of binary oxides obtained from ZnO TiO2 system. Pure nanosized ZnTiO3 (99.5%), was compacted in cylindrical shape specimens by uniaxial double sided compaction and then sintered in air atmosphere in a dilatometric device [1,2]. One compact was sintered up to 915 °C to retain metastabile ZnTiO3 and held 5 minutes on that temperature, and another one at the same conditions, but now up to 970 °C to induce phase transition and to obtain stabile Zn2TiO4 and TiO2 according to phase diagram [2]. Reheated samples obtained at different characteristic temperatures in air were analyzed by X-ray diffraction (XRD). The infrared attenuated total reflectivity measurements confirmed XRD results. In order to estimate theoretical stability of these perovskite structure, Goldschmidt tolerance factor Gt and global instability index GII were calculated. Furthermore, the Ti valence states were determined by bond valence calculations (BVC). Also, we have investigated the formation of new phases (Zn2Ti3O8, TiO2 and Zn2TiO4) originating from ZnTiO3 with temperature change, as well as the relation between the crystal structures which have been predicted and the structure of the phases we have experimentally observed.", publisher = "Belgrade : Institute for Multidisciplinary Research", journal = "5CSCS : 5th Serbian Ceramic Society Conference : programme and the book of abstracts; June 11-13; Belgrade", title = "Theoretical and experimental study of polycrystalline phases obtained by the nanometric ZnTiO3 powder sintering", pages = "110", url = "https://hdl.handle.net/21.15107/rcub_vinar_11493" }
Labus, N., Rosić, M., Čebela, M., Jordanov, D., Dodevski, D.,& Radović, I.. (2019). Theoretical and experimental study of polycrystalline phases obtained by the nanometric ZnTiO3 powder sintering. in 5CSCS : 5th Serbian Ceramic Society Conference : programme and the book of abstracts; June 11-13; Belgrade Belgrade : Institute for Multidisciplinary Research., 110. https://hdl.handle.net/21.15107/rcub_vinar_11493
Labus N, Rosić M, Čebela M, Jordanov D, Dodevski D, Radović I. Theoretical and experimental study of polycrystalline phases obtained by the nanometric ZnTiO3 powder sintering. in 5CSCS : 5th Serbian Ceramic Society Conference : programme and the book of abstracts; June 11-13; Belgrade. 2019;:110. https://hdl.handle.net/21.15107/rcub_vinar_11493 .
Labus, Nebojša, Rosić, Milena, Čebela, Maria, Jordanov, Dragana, Dodevski, Dragan, Radović, Ivana, "Theoretical and experimental study of polycrystalline phases obtained by the nanometric ZnTiO3 powder sintering" in 5CSCS : 5th Serbian Ceramic Society Conference : programme and the book of abstracts; June 11-13; Belgrade (2019):110, https://hdl.handle.net/21.15107/rcub_vinar_11493 .