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

D 2021

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

ŽENÍŠEK, Jaroslav; Pavel SOUČEK; Pavel ONDRAČKA a Petr VAŠINA

Základní údaje

Originální název

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

Autoři

ŽENÍŠEK, Jaroslav; Pavel SOUČEK; Pavel ONDRAČKA a Petr VAŠINA

Vydání

Ostrava, 13th International Conference on Nanomaterials - Research and Application, NANOCON 2021, od s. 442-447, 6 s. 2021

Nakladatel

TANGER Ltd.

Další údaje

Jazyk

angličtina

Typ výsledku

Stať ve sborníku

Obor

10305 Fluids and plasma physics

Stát vydavatele

Česká republika

Utajení

není předmětem státního či obchodního tajemství

Forma vydání

tištěná verze "print"

Odkazy

URL

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14310/21:00128616

Organizační jednotka

Přírodovědecká fakulta

ISBN

978-80-88365-00-6

ISSN

DOI

https://doi.org/10.37904/nanocon.2021.4380

EID Scopus

2-s2.0-85127289027

Klíčová slova anglicky

XPS; bonds; amorphous materials; atomistic model

Štítky

14312030

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 13. 2. 2023 11:28, Mgr. Marie Novosadová Šípková, DiS.

Anotace

V originále

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.

Návaznosti

GA19-03899S, projekt VaV

Název: Nanolaminátní vrstvy připravené magnetronovým naprašováním - perspektivní tvrdý materiál se zvýšenou lomovou houževnatostí

Investor: Grantová agentura ČR, Nanolaminátní vrstvy připravené magnetronovým naprašováním - perspektivní tvrdý materiál se zvýšenou lomovou houževnatostí

LM2018097, projekt VaV

Název: Centrum výzkumu a vývoje plazmatu a nanotechnologických povrchových úprav (Akronym: CEPLANT)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, R&D centre for plasma and nanotechnology surface modifications

LM2018140, projekt VaV

Název: e-Infrastruktura CZ (Akronym: e-INFRA CZ)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, e-Infrastruktura CZ

Citovat

ŽENÍŠEK, Jaroslav; Pavel SOUČEK; Pavel ONDRAČKA a Petr VAŠINA. STUDY OF W-X BONDS IN AMORPHOUS W-B-C. In 13th International Conference on Nanomaterials - Research and Application, NANOCON 2021. Ostrava: TANGER Ltd., 2021, s. 442-447. ISBN 978-80-88365-00-6. Dostupné z: https://doi.org/10.37904/nanocon.2021.4380.

@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 = {https://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  - CONF
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 a 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, s.~442-447. ISBN~978-80-88365-00-6. Dostupné z: https://doi.org/10.37904/nanocon.2021.4380.

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