Exceptionally fast water desalination at complete salt rejection by pristine graphyne monolayers

Xue, Minmin; Qiu, Hu; Guo, Wanlin

doi:10.1088/0957-4484/24/50/505720

Cited by 132 publications

(118 citation statements)

References 49 publications

(107 reference statements)

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“…By MD simulations and first principles modeling (Figure 5), it was found that pristine graphyne can achieve 100% rejection of ions in sea water, including Na + , Cl − , Mg 2+ , K + , and Ca 2+ , at an exceptionally high water permeability, about two orders of magnitude higher than that of commercial state-of-the-art reverse osmosis membranes with a salt rejection of 98.5% 68. This complete ion rejection by graphyne, independent of the salt concentration and the operating pressure, is revealed to originate from the significantly higher energy barriers for ions than for water 68. This intrinsic specialty of graphyne provides a new possibility for the efforts to alleviate the global shortage of fresh water and other related environmental problems.…”

Section: Graphynementioning

confidence: 99%

See 1 more Smart Citation

New materials graphyne, graphdiyne, graphone, and graphane: review of properties, synthesis, and application in nanotechnology

Peng¹,

Dearden²,

Crean³

et al. 2014

NSA

287

182

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Plenty of new two-dimensional materials including graphyne, graphdiyne, graphone, and graphane have been proposed and unveiled after the discovery of the “wonder material” graphene. Graphyne and graphdiyne are two-dimensional carbon allotropes of graphene with honeycomb structures. Graphone and graphane are hydrogenated derivatives of graphene. The advanced and unique properties of these new materials make them highly promising for applications in next generation nanoelectronics. Here, we briefly review their properties, including structural, mechanical, physical, and chemical properties, as well as their synthesis and applications in nanotechnology. Graphyne is better than graphene in directional electronic properties and charge carriers. With a band gap and magnetism, graphone and graphane show important applications in nanoelectronics and spintronics. Because these materials are close to graphene and will play important roles in carbon-based electronic devices, they deserve further, careful, and thorough studies for nanotechnology applications.

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Section: Graphynementioning

confidence: 99%

“…It is worth noting that opposed to graphyne, graphdiyne is impermeable to water and ions due to its limited pore size 68. As a result, graphdiyne is not good for desalinators.…”

Section: Graphdiynementioning

confidence: 99%

New materials graphyne, graphdiyne, graphone, and graphane: review of properties, synthesis, and application in nanotechnology

Peng¹,

Dearden²,

Crean³

et al. 2014

NSA

287

182

View full text Add to dashboard Cite

show abstract

“…[18] According to our calculations, α-, β-and γ-silagraphyne have the inverse of the specific surface area of 0.362, 0.432 and 0.537 mg/m 2 , respectively. This size of the pore is very important in the desalination of sea water, [19] photocatalyst, lithium-ion battery and energy storage, [4] because they have high porosity and high specific surface area compared to graphyne (i.e., 0.379 mg/m 2 for α-graphyne, 0.461 mg/m 2 for β-graphyne and 0.582 mg/m 2 for γ-graphyne). [18] The calculative ELF maps of silagraphyne monolayers are demonstrated in Fig S5. It's clear to see that all of the ELFs of C-C and Si-C bonds are localized at the bond center, similar to the ELF maps in t-SiC monolayer.…”

mentioning

confidence: 99%

Novel bonding patterns and optoelectronic properties of the two-dimensional Si_xC_ymonolayers

Fan

Guo

et al. 2017

J. Mater. Chem. C

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The search of new two-dimensional (2D) materials with novel optical and electronic properties is always desirable for material development. Here, we report a comprehensive theoretical prediction of 2D SiC compounds with different stoichiometries from C-rich to Si-rich. Besides the previously known hexagonal SiC sheet, we identified two types of hitherto-unknown structural motifs with distinctive bonding features. The first type of 2D SiC monolayer, including t-SiC and t-Si 2 C sheet, can be described by tetragonal lattice. Among them, t-SiC monolayer sheet is featured by each carbon atom binds with four neighboring silicon atoms in almost the same plane, constituting a quasi-planar four-coordinated rectangular moiety. More interestingly, our calculations demonstrate that this structure exhibits a strain-dependent insulator-semimetal transition, suggesting promising applications in strain-dependent optoelectronic sensors. The second type of 2D SiC sheet is featured by silagraphyne with acetylenic linkages(-C≡C-). Silagraphyne shows both high pore sizes and Poisson's ratio. These properties make them a potentially important material for applications in separation membranes and catalysis. Moreover, one of the proposed structures, γ-silagraphyne, is a direct-band-gap semiconductor with a bandgap of 0.89 eV, which has a strong absorption peak in the visible-light region, giving a promising application in ultra-thin transistors, optical sensor devices and solar cell devices.Since the demonstration of the first isolated graphene sheet in 2004, 2D atomic crystals have received much attention. For graphene, due to its many extraordinary properties, it has potential applications in a wide range of areas. However, the pristine graphene is a gapless semi-metal, which means that it is difficult to control the number of carriers. This dramatically limits its applications in the field effect transistor, photovoltaic cell, and etc. Thus, the subject of finding new 2D materials beyond graphene is one of the most active fields of current material research. These research include graphyne, single-layer hexagonal boron nitride (h-BN), [ [5] Particularly, besides graphene and graphyne, a strong research topic in group-IV 2D elemental monolayers have sprung up in recent years. However, these group-IV 2D elemental derivatives show the properties of Dirac fermion behavior without spin-orbit coupling, which create a set of challenges for application in conventional electronic devices due to the lack of band gap at the Fermi level.2D SiC have recently emerged as a promising material with tunable band gaps for potential applications in optoelectronics and electronics.11 Especially, inspired by the successful syntheses of the graphene-like hexagonal SiC sheet in experiment,12 a few carbon-rich SiC monolayers, such as paraSiC 3 ,[6] g-SiC 2 , [7] and pt-SiC 2 , [8] were predicted at one particular stoichiometry. Among all of these newly structures, g-SiC 2 sheet, a direct band gap of 1.09 eV is nearly ideal material for flexible optoelectro...

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“…GNC structures containing square and heptagonal motifs, i.e., GNC 11,15,and 18, are more rigid and exhibit highly localized flexibility at a median distance with the structure-specific motifs. In addition, these structures are characterized by a faster diffusion of water in the nanopores compared with the other GNC structures.…”

Section: ■ Conclusionmentioning

confidence: 99%

Electrolyte Diffusion in Gyroidal Nanoporous Carbon

et al. 2015

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The structural properties of gyroidal nanoporous carbon (GNC) materials and their diffusion properties are investigated using a combination of molecular dynamics methods. We consider nine different GNC materials with variable pore geometry and pore size to establish that the local curvature induced by the presence of specific carbon ring size imposes highly specific behavior on electrolyte diffusion inside the GNC channels. We also find that GNC materials containing carbon square and heptagon motifs are globally more rigid and locally more flexible than GNC materials containing octagonal rings. The most rigid GNC's present a faster water diffusion, indicating that the diffusion properties can be controlled by a proper choice of gyroid size and density. The analysis emphasizes that a fine balance between water permeation and ionic conduction can lead to GNC materials with attractive properties for nanofluidic applications. The impact of these findings are discussed in terms of their ionic transport, water filtration, and energy storage properties. ■ INTRODUCTIONMathematically, a gyroid adopts a cubic structure that can be described by Schoen's G surface, i.e., a triply periodic minimal surface that divides space into two equally sized, noninteracting volumes. 1 Gyroidal mesoporous carbon (GMC) materials with tunable pore size have been recently synthesized and characterized. 2 They present a high three-dimensionally connected porosity and therefore a high pore accessibility at the micrometer length scale. In addition, GMC materials can be chemically modified to form core−shell nanocomposites. 3 They can also be assembled using materials other than carbon, 4 thereby offering versatile opportunities for a range of energy related applications. At the nanoscale, numerous porous carbon materials have shown a tremendous potential for applications in a number of fields such as energy storage, supercapacitors, or water filtration. For example, graphene oxide framework (GOF) materials with large pore size, pore volume, and high accessible surface area can be used for gas storage, catalytic support, and energy storage. 5,6 Moreover, mesoporous as well as nanoporous carbon materials have shown great properties for supercapacitor applications depending on pore shapes. 7−9 Finally, carbon nanotubes, 10−12 nanoporous graphene, 13,14 graphyne, 15,16 graphene oxide, 17 or GOFs 18,19 have been tested as semipermeable membranes for water filtration, showing attractive performance in terms of water permeability and ion rejection.Here we introduce a new type of nanopores and membranes built from gyroid surfaces decorated with single-layer carbon materials. These gyroidal nanoporous carbon (GNC) materials are monolayer equivalent to GMC materials but with pores exhibiting nanometer-scale features. First-principles calculations of the electronic properties of specific GNC structures were recently performed to demonstrate that GNC materials have tunable electronic properties depending on their density. 20,21 However, there have been no ...

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Exceptionally fast water desalination at complete salt rejection by pristine graphyne monolayers

Cited by 132 publications

References 49 publications

New materials graphyne, graphdiyne, graphone, and graphane: review of properties, synthesis, and application in nanotechnology

New materials graphyne, graphdiyne, graphone, and graphane: review of properties, synthesis, and application in nanotechnology

Novel bonding patterns and optoelectronic properties of the two-dimensional Si_xC_ymonolayers

Electrolyte Diffusion in Gyroidal Nanoporous Carbon

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Exceptionally fast water desalination at complete salt rejection by pristine graphyne monolayers

Cited by 132 publications

References 49 publications

New materials graphyne, graphdiyne, graphone, and graphane: review of properties, synthesis, and application in nanotechnology

New materials graphyne, graphdiyne, graphone, and graphane: review of properties, synthesis, and application in nanotechnology

Novel bonding patterns and optoelectronic properties of the two-dimensional SixCymonolayers

Electrolyte Diffusion in Gyroidal Nanoporous Carbon

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Novel bonding patterns and optoelectronic properties of the two-dimensional Si_xC_ymonolayers