Detail publikace

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

MICHAL, L. ROY, R. HOLEC, D. GOMEZ PEREZ, I. PIZÚROVÁ, N. NEČAS, D. DOLEČKOVÁ, A. MEDALOVÁ, J. LEPCIO, P. ZAJÍČKOVÁ, L.

Originální název

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

Typ

článek v časopise ve Web of Science, Jimp

Jazyk

angličtina

Originální abstrakt

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).

Klíčová slova

TOTAL-ENERGY CALCULATIONS; CARBON; NANOPROBE

Autoři

MICHAL, L.; ROY, R.; HOLEC, D.; GOMEZ PEREZ, I.; PIZÚROVÁ, N.; NEČAS, D.; DOLEČKOVÁ, A.; MEDALOVÁ, J.; LEPCIO, P.; ZAJÍČKOVÁ, L.

Vydáno

15. 12. 2022

Nakladatel

AMER CHEMICAL SOC

Místo

WASHINGTON

ISSN

1948-7185

Periodikum

J PHYS CHEM LETT

Ročník

13

Číslo

prosinec

Stát

Spojené státy americké

Strany od

11536

Strany do

11542

Strany počet

7

URL

https://pubs.acs.org/doi/10.1021/acs.jpclett.2c02964

BibTex

@article{BUT182241,
  author="Lukáš {Michal} and Rajarshi {Roy} and David {Holec} and Inmaculada Jennifer {Gomez Perez} and Naděžda {Pizúrová} and David {Nečas} and Anna {Dolečková} and Jiřina {Medalová} and Petr {Lepcio} and Lenka {Zajíčková}",
  title="Long-Range Magnetic Order in Nickel Hydroxide-Functionalized Graphene Quantum Dots",
  journal="J PHYS CHEM LETT",
  year="2022",
  volume="13",
  number="prosinec",
  pages="11536--11542",
  doi="10.1021/acs.jpclett.2c02964",
  issn="1948-7185",
  url="https://pubs.acs.org/doi/10.1021/acs.jpclett.2c02964"
}