The density of states and quantum capacitance of pure and doped Nb2N and Nb4N3 singlelayer and multi-layer bulk structures are investigated using density functional theory calculations. The calculated value of quantum capacitance is quite high for pristine Nb2N and decent for Nb4N3 structures. However for cobalt-doped unpolarized structures, significant increase in quantum capacitance at Fermi level is observed in the case of Nb4N3 as compared to minor increase in case of Nb2N. These results show that pristine and doped Nb2N and Nb4N3 can be preferred over graphene as the electrode material for supercapacitors. The spin and temperature dependences of quantum capacitance for these structures are also investigated

Determination of Quantum Capacitance of Niobium Nitrides Nb2N and Nb4N3 for Supercapacitor Applications

Patrizia Bocchetta
Membro del Collaboration Group
;
2021-01-01

Abstract

The density of states and quantum capacitance of pure and doped Nb2N and Nb4N3 singlelayer and multi-layer bulk structures are investigated using density functional theory calculations. The calculated value of quantum capacitance is quite high for pristine Nb2N and decent for Nb4N3 structures. However for cobalt-doped unpolarized structures, significant increase in quantum capacitance at Fermi level is observed in the case of Nb4N3 as compared to minor increase in case of Nb2N. These results show that pristine and doped Nb2N and Nb4N3 can be preferred over graphene as the electrode material for supercapacitors. The spin and temperature dependences of quantum capacitance for these structures are also investigated
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11587/451430
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 9
  • ???jsp.display-item.citation.isi??? 7
social impact