STUDY OF W-X BONDS IN AMORPHOUS W-B-C

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F21%3A00128616" target="_blank" >RIV/00216224:14310/21:00128616 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.37904/nanocon.2021.4380" target="_blank" >https://doi.org/10.37904/nanocon.2021.4380</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.37904/nanocon.2021.4380" target="_blank" >10.37904/nanocon.2021.4380</a>

Result language
angličtina
Original language name
STUDY OF W-X BONDS IN AMORPHOUS W-B-C
Original language description
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.
Czech name
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Czech description
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Article name in the collection
13th International Conference on Nanomaterials - Research and Application, NANOCON 2021
ISBN
9788088365006
ISSN
2694-930X
e-ISSN
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Number of pages
6
Pages from-to
442-447
Publisher name
TANGER Ltd.
Place of publication
Ostrava
Event location
Brno
Event date
Oct 20, 2021
Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
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