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@inproceedings{2254785,
author = {Ženíšek, Jaroslav and Souček, Pavel and Ondračka, Pavel and Vašina, Petr},
address = {Ostrava},
booktitle = {13th International Conference on Nanomaterials - Research and Application, NANOCON 2021},
doi = {http://dx.doi.org/10.37904/nanocon.2021.4380},
keywords = {XPS; bonds; amorphous materials; atomistic model},
howpublished = {tištěná verze "print"},
language = {eng},
location = {Ostrava},
isbn = {978-80-88365-00-6},
pages = {442-447},
publisher = {TANGER Ltd.},
title = {STUDY OF W-X BONDS IN AMORPHOUS W-B-C},
url = {https://doi.org/10.37904/nanocon.2021.4380},
year = {2021}
}
TY - JOUR
ID - 2254785
AU - Ženíšek, Jaroslav - Souček, Pavel - Ondračka, Pavel - Vašina, Petr
PY - 2021
TI - STUDY OF W-X BONDS IN AMORPHOUS W-B-C
PB - TANGER Ltd.
CY - Ostrava
SN - 9788088365006
KW - XPS
KW - bonds
KW - amorphous materials
KW - atomistic model
UR - https://doi.org/10.37904/nanocon.2021.4380
N2 - We examine the validity of assumptions commonly used for the analysis of bonds (bond fractions) in amorphous W-B-C systems by a deconvolution procedure applied on measured XPS profiles. We focus on the relationship between the chemical shift of 4f electronic states of W atoms and the relative amounts of W-X bonds (X=W, B, C). The bond fraction analysis of amorphous W-B-C assumes that the formation of binary W–B and W–C bonds leads to a shift of 4f electron binding energies to lower and higher values, respectively, due to the differences in the Pauling electronegativity of W, B and C. Different W-B-C compositions also lead to different relative amounts of W-W bonds but their effect on the chemical shift is usually neglected. To test these assumptions we generated amorphous W-B-C atomic model of W40B30C30 composition (atomic percent), calculated the W 4f core electron binding energies from ab initio methods and examined relationships between the W-X bonds and the chemical shift of 4f electron binding energies. Our analysis confirms the expected chemical shifts in W-B-C caused by W-C bonds. Additionally, we found a correlation between W-W bonds and W 4f electronic states and discuss its influence on the bond fraction analysis.
ER -
ŽENÍŠEK, Jaroslav, Pavel SOUČEK, Pavel ONDRAČKA and Petr VAŠINA. STUDY OF W-X BONDS IN AMORPHOUS W-B-C. In \textit{13th International Conference on Nanomaterials - Research and Application, NANOCON 2021}. Ostrava: TANGER Ltd., 2021, p.~442-447. ISBN~978-80-88365-00-6. Available from: https://dx.doi.org/10.37904/nanocon.2021.4380.
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