Geometrical and magnetic properties of small titanium and chromium clusters on monolayer hexagonal boron nitride-Reference-Cited by-同舟云学术

Geometrical and magnetic properties of small titanium and chromium clusters on monolayer hexagonal boron nitride

Published:2023 Issue:8 Volume:25 Page:6079-6088
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Hao Dong¹²^ORCID,Wang Yueyi²,Tang Xiangqian¹²,Zhao Xinjia¹^ORCID,An Yang¹²,Wang Wenyu¹²,Li Jianmei³,Shan Xinyan¹²⁴,Lu Xinghua¹²⁵⁴^ORCID

Affiliation:

1. Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China

2. School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100190, China

3. Key Laboratory for Microstructural Material Physics of Hebei Province, School of Science, Yanshan University, Qinhuangdao, Heibei 066004, China

4. Songshan Lake Materials Laboratory, Dongguan, Guangdong 523808, China

5. Collaborative Innovation Center of Quantum Matter, Beijing 100190, China

Abstract

The Ti/Cr clusters, from dimers to pentamers, on a single-layer h-BN are investigated using first-principles calculations. The relatively weak interaction with the h-BN monolayer makes it possible to build versatile and interesting 3D nanostructures.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Beijing Municipality

Chinese Academy of Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP05638K

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