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

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MICHAL Lukáš ROY Rajarshi HOLEC David GOMEZ PEREZ Inmaculada Jennifer PIZÚROVÁ Naděžda NEČAS David DOLEČKOVÁ Anna MEDALOVÁ Jiřina LEPCIO Petr ZAJÍČKOVÁ Lenka

Rok publikování 2022
Druh Článek v odborném periodiku
Časopis / Zdroj Journal of Physical Chemistry Letters
Fakulta / Pracoviště MU

Přírodovědecká fakulta

Citace
www https://doi.org/10.1021/acs.jpclett.2c02964
Doi http://dx.doi.org/10.1021/acs.jpclett.2c02964
Klíčová slova Charge transfer; Magnetic properties; Quantum mechanics; Two dimensional materials; X-ray photoelectron spectroscopy
Popis 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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