Atomically Thin B doped g-C3N4 Nanosheets: High-Temperature Ferromagnetism and calculated Half-Metallicity

Abstract

Since the graphitic carbon nitride (g-C4N3), which can be seen as C-doped graphitic-C3N4 (g-C3N4), was reported to display ferromagnetic ground state and intrinsic half-metallicity (Du et al., PRL,108,197207,2012), it has attracted numerous research interest to tune the electronic structure and magnetic properties of g-C3N4 due to their potential applications in spintronic devices. In this paper, we reported the experimentally achieving of high temperature ferromagnetism in metal-free ultrathin g-C3N4 nanosheets by introducing of B atoms. Further, first-principles calculation results revealed that the current flow in such a system was fully spin-polarized and the magnetic moment was mainly attributed to the p orbital of N atoms in B doped g-C3N4 monolayer, giving the theoretic evidence of the ferromagnetism and half-metallicity. Our finding provided a new perspective for B doped g-C3N4 spintronic devices in future.

Nitrogen-doped Carbon Nanospheres-Modified Graphitic Carbon Nitride with Outstanding Photocatalytic Activity

“…In particular, our group has reported that size-tailored, uniformed carbon spheres can promote GCN toward enhanced photocatalysis [32]. Meanwhile, non-metal doping is demonstrated as an effective approach since the electronic structure and band gap would be changed dramatically via heteroatom doping [17,33,34]. Nitrogen-doped carbonaceous nanomaterials are found to be able to expedite the migration of photoinduced electron-hole pairs and promote the generation of active sites during the photocatalytic reaction by forming delocalized pi bonds [22,[35][36][37][38].…”

Graphitic carbon nitride with S and O codoping for enhanced visible light photocatalytic performance

“…Some intrinsic characteristics, such as small specic surface area and rapid recombination of the photogenerated electronhole pair, restrict its application. Accordingly, many strategies have been adopted to improve the photocatalytic performance of g-C 3 N 4 by means of the fabrication of nano/mesoporous structures with a so or hard template, [4][5][6] a heterojunction with other semiconductors, [7][8][9][10][11] coupling with metal particles, [12][13][14][15][16][17][18][19] and metal or non-metal doping, [20][21][22][23][24][25][26][27][28][29][30][31][32][33][34][35][36] etc. Among these methods, doping with nonmetal elements showed great possibility to enhance the visible light photocatalysis of g-C 3 N 4 , since the electronic structure and band gap changed dramatically via atomic doping.…”

“…20 Carbon and nitrogen self-doped g-C 3 N 4 exhibited improved photoreactivity by forming delocalized p bonds to increase visible light absorption and electric conductivity. 20,21 Many nonmetal heteroatoms, such as B, [21][22][23][24] P, [25][26][27][28] S, [29][30][31][32][33][34][35][36] O, [37][38][39] were introduced to improve the visible light photocatalytic activities for hydrogen generation and organic degradation compared with pristine g-C 3 N 4 . Experimental and theoretical studies showed that the dopants tune the electronic structure by forming localized states in the band gap, facilitating the transfer of photogenerated electron hole pairs.…”

Ferromagnetism and Half‐Metallicity in Atomically Thin Holey Nitrogenated Graphene Based Systems

“…The calculated Curie temperature is approximately 297 K for the holey planar C N @C 2 N system. Previous theoretical and experimental reports suggest that doped carbon nitride based systems show Curie temperatures in a similar range. Superconducting quantum interference devices (SQUIDs) are used to calculate the Curie temperature experimentally.…”

“…Previous theoretical and experimental reports suggest that doped carbon nitride based systems show Curie temperatures in a similar range. Superconducting quantum interference devices (SQUIDs) are used to calculate the Curie temperature experimentally. Correspondingly, Monte Carlo (MC) simulations were performed to estimate the Curie temperature ( T C ) of the planar C N @C 2 N system .…”