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초록
The paper presents a novel composite material based on nanoporous AB-stacked bilayer graphene. The influence of the dopant atom on the electronic properties of the heterostructure and its position in the pore is investigated herein. The proposed effect is considered on composite materials doped with calcium and manganese atoms in order to correctly evaluate the influence of the valence shell filling type without the local field effect caused by the structural properties of an AB-stacked bilayer graphene.
키워드
bilayer graphene; density functional theory; adsorption; transition metal; spin polarization; INITIO MOLECULAR-DYNAMICS
- 제목
- LOCALIZED d-ELECTRON EFFECT ON SPIN POLARIZATION OF VERTICAL HETEROSTRUCTURES OF NANOPOROUS BILAYER GRAPHENE
- 저자
- Melchakova, Yu. A.; Avramov, P. V.
- 발행일
- 2022-12-22
- 유형
- Article
- 권
- 65
- 호
- 7
- 페이지
- 1138 ~ 1141
- 언어
- ENG
- 출판사
- SPRINGER
- 발행국가
- 미국
- 분량
- 4 페이지
- ISSN
- E 1573-9228
P 1064-8887