Adsorption of Lanthanide Atoms on a Graphene Cluster Model Incorporating Stone–Wales Defect

To study the adsorption of lanthanide (Ln) atoms on graphene containing a Stone–Wales defect, we used a cluster model (SWG) and performed calculations at the PBE-D2/DNP level of the density functional theory. Our previous study, where the above combination was complemented with the ECP pseudopotenti...

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書誌詳細

出版年:	Surfaces
主要な著者:	Vladimir A. Basiuk, Elena V. Basiuk
フォーマット:	論文
言語:	英語
出版事項:	MDPI AG 2025-08-01
主題:	lanthanides graphene stone–wales defect density functional theory bonding characteristics electronic parameters
オンライン･アクセス:	https://www.mdpi.com/2571-9637/8/3/63