Publication result detail

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.

Original Title

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

English Title

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

Type

WoS Article

Original 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).

English 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).

Keywords

TOTAL-ENERGY CALCULATIONS; CARBON; NANOPROBE

Key words in English

TOTAL-ENERGY CALCULATIONS; CARBON; NANOPROBE

Authors

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

RIV year

2023

Released

15.12.2022

Publisher

AMER CHEMICAL SOC

Location

WASHINGTON

ISBN

1948-7185

Periodical

Journal of Physical Chemistry Letters

Volume

13

Number

prosinec

State

United States of America

Pages from

11536

Pages to

11542

Pages count

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="Journal of Physical Chemistry Letters",
  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"
}