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Issue 30, 2019
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Magnetism in bimetallic PtxNiNx clusters via cross-atomic coupling

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Abstract

Bimetallic PtxNiNx clusters exhibit notable magnetization as demonstrated by many previous experiments. However, the origin of magnetic properties of the bimetallic PtxNiNx clusters and the effects of morphology, composition, size, and chemical order on the magnetic properties are still not fully understood. In this work, we performed a systematic study on the electronic and magnetic properties of three model magic-number clusters, PtxNiNx (N = 13, 55, and 147). Each bimetallic cluster was designed with prototypical symmetric morphologies, i.e., cuboctahedron (CUBO), decahedron (DEC), and icosahedron (ICO). Four distinct chemical orders were also implemented for each bimetallic cluster, namely, core–shell, onion-ring, L10-ordered, and crown. Detailed computations of the charge and magnetic moment distributions show that the magnetic Ni atoms can transfer electrons to the surrounding layers of Pt atoms in the PtxNiNx clusters, which then induces a magnetic moment onto the nearest two layers of non-magnetic Pt atoms. Among the PtxNiNx clusters considered, the cluster with the crown chemical ordering in the ICO morphology possesses the highest magnetic moment. Our comprehensive studies not only offer an explanation for the origin of magnetic properties in the PtxNiNx clusters, but also provide guidance for future design and synthesis of bimetallic clusters with optimal magnetic properties.

Graphical abstract: Magnetism in bimetallic PtxNiN−x clusters via cross-atomic coupling

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Supplementary files

Article information


Submitted
27 Nov 2018
Accepted
19 Jun 2019
First published
24 Jun 2019

J. Mater. Chem. C, 2019,7, 9293-9300
Article type
Paper

Magnetism in bimetallic PtxNiNx clusters via cross-atomic coupling

W. Zhang, D. L. Deibert, D. Cheng and X. C. Zeng, J. Mater. Chem. C, 2019, 7, 9293
DOI: 10.1039/C8TC05958F

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