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

Long range magnetic order in Nickel Hydroxide-functionalized graphene quantum dots

Journal of Physical Chemistry Letters 13 (2022) 11536-11542

In this work, we show the prospect of chemically synthesizing a transition metal (Ni) doped magnetic GQDs with the sole aim to shed light on its magnetic property. Our results show that adsorption of nickel hydroxide on a predominantly paramagnetic GQDs reveal anti-ferromagnetic 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 GQD and 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. The net magnetic moment obtained interestingly show that the moment is slightly higher for GQDs on the carbon atoms than graphene and is site dependent (surface or edge)

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DOI: 10.1021/acs.jpclett.2c02964

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