Tungsten Disilicide (WSi2): Synthesis, Characterization, and Prediction of New Crystal Structures

2017
Authors
Luković, Jelena M.
Zagorac, Dejan
Schoen, J. Christian
Zagorac, Jelena B.

Jordanov, Dragana

Volkov-Husović, Tatjana

Matović, Branko

Article (Published version)

Metadata
Show full item recordAbstract
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.
Keywords:
Tungsten disilicide / Tungsten / XRPD analysisSource:
Zeitschrift Fur Anorganische Und Allgemeine Chemie, 2017, 643, 23, 2088-2094Publisher:
- Wiley-VCH Verlag Gmbh, Weinheim
Funding / projects:
- Synthesis, processing and characterization of nanostructured materials for application in the field of energy, mechanical engineering, environmental protection and biomedicine (RS-45012)
- Investigation of intermetallics and semiconductors and possible application in renewable energy sources (RS-171001)
DOI: 10.1002/zaac.201700329
ISSN: 0044-2313
WoS: 000417912600040
Scopus: 2-s2.0-85034828729
Institution/Community
Tehnološko-metalurški fakultetTY - 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 - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3599 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. PB - Wiley-VCH Verlag Gmbh, Weinheim T2 - Zeitschrift Fur Anorganische Und Allgemeine Chemie T1 - Tungsten Disilicide (WSi2): Synthesis, Characterization, and Prediction of New Crystal Structures EP - 2094 IS - 23 SP - 2088 VL - 643 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.", publisher = "Wiley-VCH Verlag Gmbh, Weinheim", journal = "Zeitschrift Fur Anorganische Und Allgemeine Chemie", title = "Tungsten Disilicide (WSi2): Synthesis, Characterization, and Prediction of New Crystal Structures", pages = "2094-2088", number = "23", volume = "643", 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 Wiley-VCH Verlag Gmbh, Weinheim., 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 . .