| ŽENÍŠEK, Jaroslav, Pavel ONDRAČKA, Jan ČECHAL, Pavel SOUČEK, David HOLEC and Petr VAŠINA. W 4f electron binding energies in amorphous W-B-C systems. Applied Surface Science. Elsevier, 2022, vol. 586, June, p. 1-9. ISSN 0169-4332. Available from: https://dx.doi.org/10.1016/j.apsusc.2022.152824. |
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@article{1835002,
author = {Ženíšek, Jaroslav and Ondračka, Pavel and Čechal, Jan and Souček, Pavel and Holec, David and Vašina, Petr},
article_number = {June},
doi = {http://dx.doi.org/10.1016/j.apsusc.2022.152824},
keywords = {X-ray Photoelectron Spectroscopy (XPS); Bonds; Amorphous materials; Atomistic model},
language = {eng},
issn = {0169-4332},
journal = {Applied Surface Science},
title = {W 4f electron binding energies in amorphous W-B-C systems},
url = {https://doi.org/10.1016/j.apsusc.2022.152824},
volume = {586},
year = {2022}
}
TY - JOUR
ID - 1835002
AU - Ženíšek, Jaroslav - Ondračka, Pavel - Čechal, Jan - Souček, Pavel - Holec, David - Vašina, Petr
PY - 2022
TI - W 4f electron binding energies in amorphous W-B-C systems
JF - Applied Surface Science
VL - 586
IS - June
SP - 1-9
EP - 1-9
PB - Elsevier
SN - 01694332
KW - X-ray Photoelectron Spectroscopy (XPS)
KW - Bonds
KW - Amorphous materials
KW - Atomistic model
UR - https://doi.org/10.1016/j.apsusc.2022.152824
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.
ER -
ŽENÍŠEK, Jaroslav, Pavel ONDRAČKA, Jan ČECHAL, Pavel SOUČEK, David HOLEC and Petr VAŠINA. W 4f electron binding energies in amorphous W-B-C systems. \textit{Applied Surface Science}. Elsevier, 2022, vol.~586, June, p.~1-9. ISSN~0169-4332. Available from: https://dx.doi.org/10.1016/j.apsusc.2022.152824.
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