C<sub>2</sub>N: an excellent two-dimensional monolayer membrane for He separation

Zhu, Lei; Xue, Qingzhong; Li, Xiaofang; Wu, Tiantian; Jin, Yakang; Wang, Xing

doi:10.1039/c5ta05700k

Cited by 176 publications

(127 citation statements)

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“…For instance, C 3 N 4 is known as a promising photocatalyst for water splitting and for degradation of organic pollutants under sunlight irradiation. [8,9] These porous carbon nitride monolayers are all featured with periodic and uniform cavities, each surrounded by six N atoms. [6] In 2015, a new type of monolayer carbon nitride, C 2 N, has been successfully synthesized based on a simple bottom-up wet-chemical reaction, [7] while the latter was previously predicted in theory to be a good candidate for gas separation.…”

mentioning

confidence: 99%

Facile and Versatile Functionalization of Two‐Dimensional Carbon Nitrides by Design: Magnetism/Multiferroicity, Valleytronics, and Photovoltaics

Zeng

2019

Adv Funct Materials

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Ab initio calculation evidence has shown that two-dimensional (2D) carbon nitrides may enable "facile functionalization" when a domain of carbon nitride is wetted by a solution of metal halides with mobile cations/anions. During the wetting process, each cavity can be functionalized by a unit of metal halide. Compared with prevailing functionalization or doping strategies through either high-temperature diffusion of source ions or ion implantation by using accelerators, such a room-temperature "wet-lab" functionalization approach is more facile and efficient. The wet-lab functionalization not only can facilitate isolation of the 2D monolayer, but also, with applying different metal halides, enable various new and desirable properties for broad applications, e.g., 2D magnetism and 2D ferroelectricity with high piezoelectric coefficient. The latter can be implemented in spin-independent valleytronics for non-volatile electrical manipulations. Notably, tunable bandgaps, ranging from 1.0 to 2.5 eV, can be realized by controlling the metal-halide functionalization density, while the separation of electrons/holes can be facilitated by the ferroelectric polarizations and heterostructure band alignments. Moreover, multifunctional domains like P/N doped or magnetic/ ferroelectric domains can be selectively constructed through such solutionprocessed functionalization with different halides, followed by seamless integration into a single sheet of carbon nitride, akin to the P/N channels in silicon wafers.

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mentioning

confidence: 99%

Facile and Versatile Functionalization of Two‐Dimensional Carbon Nitrides by Design: Magnetism/Multiferroicity, Valleytronics, and Photovoltaics

Zeng

2019

Adv Funct Materials

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“…The details of performance follow our previous work [33–36]. Results show that dipole momentums of octadecane, phenol, and pyridine are 0.0322, 1.3059, and 2.2449 Debye, respectively.…”

Section: Resultsmentioning

confidence: 83%

Surface Effect on Oil Transportation in Nanochannel: a Molecular Dynamics Study

Zheng

Zhu

et al. 2017

Nanoscale Res Lett

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In this work, we investigate the dynamics mechanism of oil transportation in nanochannel using molecular dynamics simulations. It is demonstrated that the interaction between oil molecules and nanochannel has a great effect on the transportation properties of oil in nanochannel. Because of different interactions between oil molecules and channel, the center of mass (COM) displacement of oil in a 6-nm channel is over 30 times larger than that in a 2-nm channel, and the diffusion coefficient of oil molecules at the center of a 6-nm channel is almost two times more than that near the channel surface. Besides, it is found that polarity of oil molecules has the effect on impeding oil transportation, because the electrostatic interaction between polar oil molecules and channel is far larger than that between nonpolar oil molecules and channel. In addition, channel component is found to play an important role in oil transportation in nanochannel, for example, the COM displacement of oil in gold channel is very few due to great interaction between oil and gold substrate. It is also found that nano-sized roughness of channel surface greatly influences the speed and flow pattern of oil. Our findings would contribute to revealing the mechanism of oil transportation in nanochannels and therefore are very important for design of oil extraction in nanochannels.Electronic supplementary materialThe online version of this article (doi:10.1186/s11671-017-2161-2) contains supplementary material, which is available to authorized users.

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“…Recently, a holey nitrogenated graphene has been synthesized by a simple wet chemical reaction; this material has a layered two‐dimensional multifunctional carbon nitride C 2 N structure with evenly distributed holes and nitrogen atoms . This has been predicted to be a promising material for He separation, hydrogen evolution, and in the oxygen reduction reaction and CO oxidation reaction . On the other hand, C‐doped carbon nitride systems have been reported for spintronic applications …”

Section: Introductionmentioning

confidence: 99%

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

Choudhuri

Pathak

2017

ChemPhysChem

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Metal-free half-metallicity has been the subject of immense research focus in the field of spintronic devices. By using density functional theoretical (DFT) calculations, atomically thin holey nitrogenated graphene (C N) based systems are studied for possible spintronic applications. Ferromagnetism is observed in all the C-doped holey nitrogenated graphene. Interestingly, the holey nitrogenated graphene (C N) based system shows strong half-metallicity with a Curie temperature of approximately 297 K when a particular C-doping concentration is reached. It shows a strong half-metallicity compared with any metal-free systems studied to date. Thus, such carbon nitride based systems can be used for a 100 % spin polarized current. Furthermore, such C-doped systems show excellent dynamical, thermal, and mechanical properties. Thus, we predict a metal-free planar ferromagnetic half-metallic holey nitrogenated graphene based system for room-temperature spintronic devices.

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C₂N: an excellent two-dimensional monolayer membrane for He separation

Abstract: Using the first-principles density functional theory (DFT) and molecular dynamics (MD) simulations, we investigate the He separation performance of a porous C2N monolayer synthesized recently.

Cited by 176 publications

References 47 publications

Facile and Versatile Functionalization of Two‐Dimensional Carbon Nitrides by Design: Magnetism/Multiferroicity, Valleytronics, and Photovoltaics

Facile and Versatile Functionalization of Two‐Dimensional Carbon Nitrides by Design: Magnetism/Multiferroicity, Valleytronics, and Photovoltaics

Surface Effect on Oil Transportation in Nanochannel: a Molecular Dynamics Study

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

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C2N: an excellent two-dimensional monolayer membrane for He separation

Abstract: Using the first-principles density functional theory (DFT) and molecular dynamics (MD) simulations, we investigate the He separation performance of a porous C2N monolayer synthesized recently.

Cited by 176 publications

References 47 publications

Facile and Versatile Functionalization of Two‐Dimensional Carbon Nitrides by Design: Magnetism/Multiferroicity, Valleytronics, and Photovoltaics

Facile and Versatile Functionalization of Two‐Dimensional Carbon Nitrides by Design: Magnetism/Multiferroicity, Valleytronics, and Photovoltaics

Surface Effect on Oil Transportation in Nanochannel: a Molecular Dynamics Study

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

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C₂N: an excellent two-dimensional monolayer membrane for He separation