Chemical properties of superatomic Li<sub>3</sub>O clusters from a density functional theory perspective: formation of chloride and adsorption behavior on graphynes-Reference-Cited by-同舟云学术

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Chemical properties of superatomic Li₃O clusters from a density functional theory perspective: formation of chloride and adsorption behavior on graphynes

Published:2024 Issue:15 Volume:26 Page:11708-11714
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wang Xiao¹,Zhang Meng¹^ORCID,Cao Wei²^ORCID

Affiliation:

1. School of Physics, East China University of Science and Technology, Shanghai 200237, China

2. Nano and Molecular Systems Research Unit, University of Oulu, FIN-90014, Finland

Abstract

The superatom identity of the Li3O cluster is studied by density functional theory. Li3O can mimic a Na atom in the electronic configuration and maintain this mimicry when bonding with halogen element atoms and adsorbing on graphynes.

Funder

East China University of Science and Technology

Research Council of Finland

H2020 European Research Council

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP05478K

Reference54 articles.

1. Beyond the Periodic Table of Elements: The Role of Superatoms

2. Super Atomic Clusters: Design Rules and Potential for Building Blocks of Materials

3. Superatoms in materials science

4. Assembling crystals from clusters

5. Atomic clusters: Building blocks for a class of solids

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