journal article·2022-12-15

Long-Range Magnetic Order in Nickel Hydroxide-Functionalized Graphene Quantum Dots

Lukáš Michal, Rajarshi Roy, David Holec, I. Jénnifer Gómez, Naděžda Pizúrová, David Nečas, Anna Dolečková, Jiřina Medalová, Petr Lepcio, Lenka Zajíčková

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Abstract

In this work, we demonstrate the prospect of chemically synthesizing transition metal (Ni) doped magnetic graphene quantum dots (GQDs) with the sole aim of shedding light on their magnetic properties. Our results show that adsorption of nickel hydroxide on predominantly paramagnetic GQDs reveals antiferromagnetic ordering in the M–T profile around 10 K with change of the spin exchange coupling deviating from J = 1/2 to J = 1, mainly arising from the d–p mixing hybridization between the p orbital of carbon from the GQD and the d orbital of Ni. Furthermore, our results are well complemented by ab initio simulations showing asymmetry of the up and down spins around the Fermi level for nickel hydroxide-doped GQDs with long-range spin polarization. Furthermore, the magnitude of the net magnetic moment generated for doped GQDs on the carbon atoms is found to be site-dependent (surface or edge).
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Research context

OpenAlex topics: Graphene research and applications · Carbon and Quantum Dots Applications · Nanocluster Synthesis and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

CEITEC, Masaryk University, Kamenice 5, 62500Brno, Czech Republic

Department of Materials Science, Montanuniversität Leoben, Franz-Josef-Strasse 18, A-8700Leoben, Austria

Department of Condensed Matter Physics, Faculty of Science, Masaryk University, Kotlářská 2, 61137Brno, Czech Republic

Institute of Physics of Materials, Czech Academy of Sciences, Žižkova 22, 61662Brno, Czech Republic

Central European Institute of Technology − CEITEC, Brno University of Technology, Purkyňova 123, 61200Brno, Czech Republic

Department of Experimental Biology, Faculty of Science, Masaryk University, Kamenice 5, 62500Brno, Czech Republic

Funding

European Regional Development Fund · Ministry of Education, Youth and Science

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