Tungsten Disilicide (WSi2): Synthesis, Characterization, and Prediction of New Crystal Structures
Само за регистроване кориснике
2017
Аутори
Luković, Jelena M.Zagorac, Dejan
Schoen, J. Christian
Zagorac, Jelena B.
Jordanov, Dragana
Volkov-Husović, Tatjana
Matović, Branko
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
Transition metal silicides have attracted great attention due to their potential applications in microelectronics, ceramics, and the aerospace industry. In this study, experimental and theoretical investigations of tungsten based silicides were performed. Tungsten disilicide (WSi2) was synthesized by simple thermal treatment at 1350 degrees C for 4 h in an argon atmosphere. These optimal synthesis conditions were obtained by variation of temperatures and times of heating, and the structure of the final synthesized compound was determined by XRPD analysis. In addition, new modifications for WSi2 were proposed and investigated using first-principles calculations within density-functional theory (DFT). Both LDA and PBE calculations show excellent agreement with experimental observations and previous calculations for the existing modifications, where available.
Кључне речи:
Tungsten disilicide / Tungsten / XRPD analysisИзвор:
Zeitschrift fur Anorganische und Allgemeine Chemie, 2017, 643, 23, 2088-2094Финансирање / пројекти:
- Синтеза, процесирање и карактеризација наноструктурних материјала за примену у области енергије, механичког инжењерства, заштите животне стредине и биомедицине (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-45012)
- Истраживање интерметалика и полупроводника и могућа примена у обновљивим изворима енергије (RS-MESTD-Basic Research (BR or ON)-171001)
DOI: 10.1002/zaac.201700329
ISSN: 0044-2313; 1521-3749
WoS: 000417912600040
Scopus: 2-s2.0-85034828729
Колекције
Институција/група
VinčaTY - JOUR AU - Luković, Jelena M. AU - Zagorac, Dejan AU - Schoen, J. Christian AU - Zagorac, Jelena B. AU - Jordanov, Dragana AU - Volkov-Husović, Tatjana AU - Matović, Branko PY - 2017 UR - https://vinar.vin.bg.ac.rs/handle/123456789/1868 AB - Transition metal silicides have attracted great attention due to their potential applications in microelectronics, ceramics, and the aerospace industry. In this study, experimental and theoretical investigations of tungsten based silicides were performed. Tungsten disilicide (WSi2) was synthesized by simple thermal treatment at 1350 degrees C for 4 h in an argon atmosphere. These optimal synthesis conditions were obtained by variation of temperatures and times of heating, and the structure of the final synthesized compound was determined by XRPD analysis. In addition, new modifications for WSi2 were proposed and investigated using first-principles calculations within density-functional theory (DFT). Both LDA and PBE calculations show excellent agreement with experimental observations and previous calculations for the existing modifications, where available. T2 - Zeitschrift fur Anorganische und Allgemeine Chemie T1 - Tungsten Disilicide (WSi2): Synthesis, Characterization, and Prediction of New Crystal Structures VL - 643 IS - 23 SP - 2088 EP - 2094 DO - 10.1002/zaac.201700329 ER -
@article{ author = "Luković, Jelena M. and Zagorac, Dejan and Schoen, J. Christian and Zagorac, Jelena B. and Jordanov, Dragana and Volkov-Husović, Tatjana and Matović, Branko", year = "2017", abstract = "Transition metal silicides have attracted great attention due to their potential applications in microelectronics, ceramics, and the aerospace industry. In this study, experimental and theoretical investigations of tungsten based silicides were performed. Tungsten disilicide (WSi2) was synthesized by simple thermal treatment at 1350 degrees C for 4 h in an argon atmosphere. These optimal synthesis conditions were obtained by variation of temperatures and times of heating, and the structure of the final synthesized compound was determined by XRPD analysis. In addition, new modifications for WSi2 were proposed and investigated using first-principles calculations within density-functional theory (DFT). Both LDA and PBE calculations show excellent agreement with experimental observations and previous calculations for the existing modifications, where available.", journal = "Zeitschrift fur Anorganische und Allgemeine Chemie", title = "Tungsten Disilicide (WSi2): Synthesis, Characterization, and Prediction of New Crystal Structures", volume = "643", number = "23", pages = "2088-2094", doi = "10.1002/zaac.201700329" }
Luković, J. M., Zagorac, D., Schoen, J. C., Zagorac, J. B., Jordanov, D., Volkov-Husović, T.,& Matović, B.. (2017). Tungsten Disilicide (WSi2): Synthesis, Characterization, and Prediction of New Crystal Structures. in Zeitschrift fur Anorganische und Allgemeine Chemie, 643(23), 2088-2094. https://doi.org/10.1002/zaac.201700329
Luković JM, Zagorac D, Schoen JC, Zagorac JB, Jordanov D, Volkov-Husović T, Matović B. Tungsten Disilicide (WSi2): Synthesis, Characterization, and Prediction of New Crystal Structures. in Zeitschrift fur Anorganische und Allgemeine Chemie. 2017;643(23):2088-2094. doi:10.1002/zaac.201700329 .
Luković, Jelena M., Zagorac, Dejan, Schoen, J. Christian, Zagorac, Jelena B., Jordanov, Dragana, Volkov-Husović, Tatjana, Matović, Branko, "Tungsten Disilicide (WSi2): Synthesis, Characterization, and Prediction of New Crystal Structures" in Zeitschrift fur Anorganische und Allgemeine Chemie, 643, no. 23 (2017):2088-2094, https://doi.org/10.1002/zaac.201700329 . .