W 4f electron binding energies in amorphous W-B-C systems

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W 4f electron binding energies in amorphous W-B-C systems. / Ženíšek, Jaroslav; Ondračka, Pavel; Čechal, Jan et al.
in: Applied surface science, Jahrgang 586.2022, Nr. 1 June, 152824, 01.06.2022.

Publikationen: Beitrag in FachzeitschriftArtikelForschung(peer-reviewed)

Harvard

Ženíšek, J, Ondračka, P, Čechal, J, Souček, P, Holec, D & Vašina, P 2022, 'W 4f electron binding energies in amorphous W-B-C systems', Applied surface science, Jg. 586.2022, Nr. 1 June, 152824. https://doi.org/10.1016/j.apsusc.2022.152824

APA

Ženíšek, J., Ondračka, P., Čechal, J., Souček, P., Holec, D., & Vašina, P. (2022). W 4f electron binding energies in amorphous W-B-C systems. Applied surface science, 586.2022(1 June), Artikel 152824. https://doi.org/10.1016/j.apsusc.2022.152824

Vancouver

Ženíšek J, Ondračka P, Čechal J, Souček P, Holec D, Vašina P. W 4f electron binding energies in amorphous W-B-C systems. Applied surface science. 2022 Jun 1;586.2022(1 June):152824. Epub 2022 Feb 12. doi: 10.1016/j.apsusc.2022.152824

Author

Ženíšek, Jaroslav ; Ondračka, Pavel ; Čechal, Jan et al. / W 4f electron binding energies in amorphous W-B-C systems. in: Applied surface science. 2022 ; Jahrgang 586.2022, Nr. 1 June.

Bibtex - Download

@article{5f887248fa474acf8ee880634c512c45,
title = "W 4f electron binding energies in amorphous W-B-C systems",
abstract = "In this paper, we critically evaluate the applicability of the procedure proposed in [Mirzaei et al., Surf. Coat. Technol. 358 (2019) 843–849] which is based on the fitting of the XPS spectrum of amorphous W-B-C material into three components with fixed peak positions to get the relative amount of W-W, W-B, and W-C bonds. We show that W-W bonds substantially influence positions of the peak components. We have verified this assumption by generating a set of models of amorphous W-B-C with different compositions (W:B:C ratio) and calculating the W 4f core electron binding energies employing ab initio methods. This enabled us to formulate the relationship between the W 4f electron binding energies (BE) and the local atomic environments of W atoms. Our analysis confirms the expected W 4f chemical shifts in W-B-C caused by W-B and W-C bonds and reveals that W-W bonds shift the W 4f electronic states in the same direction as W-B bonds, which has substantial implications for the correct interpretation of the measured XPS spectra.",
author = "Jaroslav {\v Z}en{\'i}{\v s}ek and Pavel Ondra{\v c}ka and Jan {\v C}echal and Pavel Sou{\v c}ek and David Holec and Petr Va{\v s}ina",
note = "Publisher Copyright: {\textcopyright} 2022",
year = "2022",
month = jun,
day = "1",
doi = "10.1016/j.apsusc.2022.152824",
language = "English",
volume = "586.2022",
journal = "Applied surface science",
issn = "0169-4332",
publisher = "Elsevier",
number = "1 June",

}

RIS (suitable for import to EndNote) - Download

TY - JOUR

T1 - W 4f electron binding energies in amorphous W-B-C systems

AU - Ženíšek, Jaroslav

AU - Ondračka, Pavel

AU - Čechal, Jan

AU - Souček, Pavel

AU - Holec, David

AU - Vašina, Petr

N1 - Publisher Copyright: © 2022

PY - 2022/6/1

Y1 - 2022/6/1

N2 - In this paper, we critically evaluate the applicability of the procedure proposed in [Mirzaei et al., Surf. Coat. Technol. 358 (2019) 843–849] which is based on the fitting of the XPS spectrum of amorphous W-B-C material into three components with fixed peak positions to get the relative amount of W-W, W-B, and W-C bonds. We show that W-W bonds substantially influence positions of the peak components. We have verified this assumption by generating a set of models of amorphous W-B-C with different compositions (W:B:C ratio) and calculating the W 4f core electron binding energies employing ab initio methods. This enabled us to formulate the relationship between the W 4f electron binding energies (BE) and the local atomic environments of W atoms. Our analysis confirms the expected W 4f chemical shifts in W-B-C caused by W-B and W-C bonds and reveals that W-W bonds shift the W 4f electronic states in the same direction as W-B bonds, which has substantial implications for the correct interpretation of the measured XPS spectra.

AB - In this paper, we critically evaluate the applicability of the procedure proposed in [Mirzaei et al., Surf. Coat. Technol. 358 (2019) 843–849] which is based on the fitting of the XPS spectrum of amorphous W-B-C material into three components with fixed peak positions to get the relative amount of W-W, W-B, and W-C bonds. We show that W-W bonds substantially influence positions of the peak components. We have verified this assumption by generating a set of models of amorphous W-B-C with different compositions (W:B:C ratio) and calculating the W 4f core electron binding energies employing ab initio methods. This enabled us to formulate the relationship between the W 4f electron binding energies (BE) and the local atomic environments of W atoms. Our analysis confirms the expected W 4f chemical shifts in W-B-C caused by W-B and W-C bonds and reveals that W-W bonds shift the W 4f electronic states in the same direction as W-B bonds, which has substantial implications for the correct interpretation of the measured XPS spectra.

UR - http://www.scopus.com/inward/record.url?scp=85124645820&partnerID=8YFLogxK

U2 - 10.1016/j.apsusc.2022.152824

DO - 10.1016/j.apsusc.2022.152824

M3 - Article

VL - 586.2022

JO - Applied surface science

JF - Applied surface science

SN - 0169-4332

IS - 1 June

M1 - 152824

ER -