Stability of hexafluoroacetylacetone molecules on metallic and oxidized nickel surfaces in atomic-layer-etching processes

Basher, Abdulrahman H.; Krstić, Marjan; Takeuchi, Takae; Isobe, Michiro; Ito, Tomoko; Kiuchi, Masato; Karahashi, Kazuhiro; Wenzel, Wolfgang; Hamaguchi, Satoshi

doi:https://doi.org/10.1116/1.5127532

Stability of hexafluoroacetylacetone molecules on metallic and oxidized nickel surfaces in atomic-layer-etching processes

Basher, Abdulrahman H.; Krstić, Marjan; Takeuchi, Takae et al.

Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films, 2020, 38(2), 022610

Number of Access:978（2025-08-16 00:38 Counts）

Identifier to cite or link to this item: https://hdl.handle.net/11094/78313

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Title	Stability of hexafluoroacetylacetone molecules on metallic and oxidized nickel surfaces in atomic-layer-etching processes
Creator	CreatorName Basher, Abdulrahman H.
	CreatorName Krstić, Marjan
	NRID 1000080201606 1000080201606 CreatorName Takeuchi, Takae
	NRID 1000040243167 1000040243167 CreatorName Isobe, Michiro
	NRID 1000010724784 1000010724784 researchmap permalink plasma0326 plasma0326 Scopus Author ID 57189987336 57189987336 CreatorName Ito, Tomoko
	NRID 1000050356862 1000050356862 researchmap permalink read0005090 read0005090 CreatorName Kiuchi, Masato
	NRID 1000060451118 1000060451118 ORCID 0000-0001-9951-6573 0000-0001-9951-6573 researchmap permalink karahashi karahashi Scopus Author ID 6602275601 6602275601 CreatorName Karahashi, Kazuhiro
	CreatorName Wenzel, Wolfgang
	NRID 1000060301826 1000060301826 ORCID 0000-0001-6580-8797 0000-0001-6580-8797 researchmap permalink satoshi_hamaguchi satoshi_hamaguchi Scopus Author ID 55220082400 55220082400 CreatorName Hamaguchi, Satoshi
Description	Abdulrahman H. Basher, Marjan Krstić, Takae Takeuchi, Michiro Isobe, Tomoko Ito, Masato Kiuchi, Kazuhiro Karahashi, Wolfgang Wenzel, and Satoshi Hamaguchi, Journal of Vacuum Science & Technology A 38:2, (2020); licensed under a Creative Commons Attribution (CC BY) license.
Abstract	Adsorption of enol hexafluoroacetylacetone (hfacH) on nickel oxide (NiO) fcc (100) and metallic Ni fcc (100) surfaces and the stability of the adsorbate was examined using first-principles quantum mechanical simulations. It was shown that an hfacH molecule can be unstable and dissociate on an Ni metal surface. On an NiO surface; however, an hfacH molecule can be deprotonated and form a hexafluoroacetylacetonate anion (hfac-) bonded stably with positively charged Ni atoms of the surface. The results are consistent with observations of the interaction of hfacH with NiO and Ni surfaces in earlier experiments. The results also explain the mechanisms of the adsorption steps in the thermal atomic layer etching of Ni based on the cyclic processes of surface oxidation and formation of volatile organo-nickel complexes.
Publisher	AVS Science and Technology Society
Source Title	Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films
Volume (Issue)	38(2)
Page	022610
Date of Issued	2020-03
Language	English
Handle URL	https://hdl.handle.net/11094/78313
PISSN	07342101
eISSN	15208559
NCID	AA10635514
Relation.isIdenticalTo	DOI (Publisher Version) https://doi.org/10.1116/1.5127532
Access Rights	open access
CopyRight	© 2020 Author(s). This article is licensed under a Creative Commons Attribution 4.0 International License.
oaire:version	Version of Record
Category	学術雑誌論文 Journal Article

Resource Type	journal article
Local Type	Journal Article
DCMI Type	Text
DCTERMS.bibliographicCitation	Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films. 2020, 38(2), p. 022610
DC.title	Stability of hexafluoroacetylacetone molecules on metallic and oxidized nickel surfaces in atomic-layer-etching processes
DC.creator	Basher, Abdulrahman H.
	Krstić, Marjan
	Takeuchi, Takae
	Isobe, Michiro
	Ito, Tomoko
	Kiuchi, Masato
	Karahashi, Kazuhiro
	Wenzel, Wolfgang
	Hamaguchi, Satoshi
DC.publisher	AVS Science and Technology Society
DC.language' scheme='DCTERMS.RFC1766	English
DC.type' scheme='DCTERMS.DCMIType	Text
DCTERMS.issued' scheme='DCTERMS.W3CDTF	2020-03
DC.identifier	https://doi.org/10.1116/1.5127532
DC.description	Abdulrahman H. Basher, Marjan Krstić, Takae Takeuchi, Michiro Isobe, Tomoko Ito, Masato Kiuchi, Kazuhiro Karahashi, Wolfgang Wenzel, and Satoshi Hamaguchi, Journal of Vacuum Science & Technology A 38:2, (2020); licensed under a Creative Commons Attribution (CC BY) license.
DCTERMS.abstract	Adsorption of enol hexafluoroacetylacetone (hfacH) on nickel oxide (NiO) fcc (100) and metallic Ni fcc (100) surfaces and the stability of the adsorbate was examined using first-principles quantum mechanical simulations. It was shown that an hfacH molecule can be unstable and dissociate on an Ni metal surface. On an NiO surface; however, an hfacH molecule can be deprotonated and form a hexafluoroacetylacetonate anion (hfac-) bonded stably with positively charged Ni atoms of the surface. The results are consistent with observations of the interaction of hfacH with NiO and Ni surfaces in earlier experiments. The results also explain the mechanisms of the adsorption steps in the thermal atomic layer etching of Ni based on the cyclic processes of surface oxidation and formation of volatile organo-nickel complexes.
DC.rights	© 2020 Author(s). This article is licensed under a Creative Commons Attribution 4.0 International License.
DC.format	78313
citation_title	Stability of hexafluoroacetylacetone molecules on metallic and oxidized nickel surfaces in atomic-layer-etching processes
citation_author	Basher, Abdulrahman H.
	Krstić, Marjan
	Takeuchi, Takae
	Isobe, Michiro
	Ito, Tomoko
	Kiuchi, Masato
	Karahashi, Kazuhiro
	Wenzel, Wolfgang
	Hamaguchi, Satoshi
citation_publisher	AVS Science and Technology Society
citation_language	English
citation_date	2020-03
citation_journal_title	Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films
citation_volume	38
citation_issue	2
citation_firstpage	022610
citation_doi	https://doi.org/10.1116/1.5127532
citation_public_url	https://hdl.handle.net/11094/78313

Stability of hexafluoroacetylacetone molecules on metallic and oxidized nickel surfaces in atomic-layer-etching processes

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