Recent progress on graphene-analogous 2D nanomaterials: Properties, modeling and applications

Liu, Bo; Zhou, Kun

doi:10.1016/j.pmatsci.2018.09.004

Cited by 279 publications

(130 citation statements)

References 637 publications

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“…In Fig. 2 samples of the DFT predictions for the uniaxial stress-strain responses of single-layer Exhibiting clear linear elasticity in these monolayers reveal that they deform likely to densely packed 2D materials, such as; graphene, MoS 2 and borophene [9], in which the stretching from the early stages of loading can be achieved mainly by the bond-elongation rather than bond rotation. It is also clear that for the uniaxial loading along the both considered loading directions, the initial linear parts of the stress-strain relations coincide very closely, revealing convincingly isotropic elasticity in these novel 2D systems.…”

Section: Resultsmentioning

confidence: 98%

“…Among the various classes of materials, two-dimensional (2D) nanomaterials are currently among the most interesting materials owing to their wide-range application prospects, like post-silicon nanoelectronics, nanooptics, bio-and nano-sensors, thermal management devises, next generation energy storage/conversion systems and structural components in aerospace. The significance of 2D materials came into consideration only after the great success of graphene [1,2], which exhibits uniquely high tensile strength [3] and thermal conductivity [4,5] along with exceptional and tuneable optical and electronic characteristics [6][7][8][9][10]. Since then, different classes of 2D materials were born and have been continuously expanding.…”

Section: Introductionmentioning

confidence: 99%

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Theoretical realization of two-dimensional M3(C6X6)2 (M = Co, Cr, Cu, Fe, Mn, Ni, Pd, Rh and X = O, S, Se) metal–organic frameworks

Mortazavi

Shahrokhi

Hussain

et al. 2019

Applied Materials Today

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Two-dimensional (2D) conductive metal−organic framework (MOF) lattices have recently gained remarkable attentions because of their outstanding application prospects. Most recently, Cu-hexahydroxybenzene MOF was for the time experimentally realized, through a kinetically controlled approach. Cu-HHB belongs to the family of conductive MOFs with a chemical formula of M 3 (C 6 X 6 ) 2 (X=NH, O, S). Motivated by the recent experimental advance in the fabrication of Cu-HHB, we conducted extensive first-principles simulations to explore the thermal stability, mechanical properties and electronic characteristics of M 3 (C 6 X 6 ) 2 (M= Co, Cr, Cu, Fe, Mn, Ni, Pd, Rh and X= O, S, Se) monolayers. First-principles results confirm that all considered 2D porous lattices are thermally stable at high temperatures over 1500 K.It was moreover found that these novel 2D structures can exhibit linear elasticity with considerable tensile strengths, revealing their suitability for practical applications in nanodevices. Depending on the metal and chalcogen atoms in M 3 (C 6 X 6 ) 2 monolayers, they can yield various electronic and magnetic properties, such as; magnetic semiconducting, perfect half metallic, magnetic and nonmagnetic metallic behaviours. This work highlights the outstanding physics of M 3 (C 6 X 6 ) 2 2D porous lattices and will hopefully help to expand this conductive MOF family, as promising candidates to design advanced energy storage/conversion, electronics and spintronics systems.

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Section: Resultsmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

Theoretical realization of two-dimensional M3(C6X6)2 (M = Co, Cr, Cu, Fe, Mn, Ni, Pd, Rh and X = O, S, Se) metal–organic frameworks

Mortazavi

Shahrokhi

Hussain

et al. 2019

Applied Materials Today

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show abstract

“…Graphene also presents highly promising optical and electronic characteristics [7,8,9,10]. The exceptional properties of graphene not only propose this novel material for the design of a wide-variety of advanced devices, but also promoted the research for the design and synthesis of other 2D materials.…”

Section: Introductionmentioning

confidence: 99%

Outstanding strength, optical characteristics and thermal conductivity of graphene-like BC3 and BC6N semiconductors

Mortazavi

Shahrokhi

Raeisi

et al. 2019

Carbon

149

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Carbon based two-dimensional (2D) materials with honeycomb lattices, like graphene, polyaniline carbon-nitride (C 3 N) and boron-carbide (BC 3 ) exhibit exceptional physical properties. On this basis, we propose two novel graphene-like materials with BC 6 N stoichiometry. We conducted first-principles calculations to explore the stability, mechanical response, electronic, optical and thermal transport characteristics of graphene-like BC 3 and BC 6 N monolayers. The absence of imaginary frequencies in the phonon dispersions confirm dynamical stability of BC 3 and BC 6 N monolayers. Our first principles * Corresponding authors

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“…Two-dimensional (2D) materials can be currently considered as the most appealing class of materials, stemming from their application prospects in critical technologies, such as the; nanoelectronics, nanooptics, bio-and nano-sensors, mobile energy storage/conversion systems and structural components in aerospace. The importance of 2D materials came into consideration originally after the rise of graphene [1,2], which exhibits uniquely high mechanical properties [3] and thermal conductivity [4,5] and highly attractive optical and electronic properties [6][7][8][9]. The great success of graphene motivated the design and synthesis of different classes of 2D materials.…”

Section: Introductionmentioning

confidence: 99%

N-, B-, P-, Al-, As-, and Ga-graphdiyne/graphyne lattices: first-principles investigation of mechanical, optical and electronic properties

et al. 2019

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Graphdiyne and graphyne are carbon-based two-dimensional (2D) porous atomic lattices, with outstanding physics and excellent application prospects for advanced technologies, like nanoelectronics and energy storage systems. During the last year, B-and N-graphdiyne nanomembranes were experimentally realized. Motivated by the latest experimental advances, in this work we predicted novel N-, B-, P-, Al-, As-, Ga-graphdiyne/graphyne 2D lattices. We then conducted density functional theory simulations to obtain the energy minimized structures and explore the mechanical, thermal stability, electronic and optical characteristics of these novel porous nanosheets. Acquired theoretical results reveal that the predicted carbon-based lattices are thermally stable. It was moreover found that these novel 2D nanostructures can exhibit remarkably high tensile strengths or stretchability. The electronic structure analysis reveals semiconducting electronic character for the predicted monolayers. Moreover, the optical results indicate that the first absorption peaks of the imaginary part of the dielectric function for these novel porous lattices along the in-plane directions are in the visible, IR and near-IR (NIR) range of light. This work highlights the outstanding properties of graphdiyne/graphyne lattices and recommends them as promising candidates to design stretchable energy storage and nanoelectronics systems.

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Recent progress on graphene-analogous 2D nanomaterials: Properties, modeling and applications

Cited by 279 publications

References 637 publications

Theoretical realization of two-dimensional M3(C6X6)2 (M = Co, Cr, Cu, Fe, Mn, Ni, Pd, Rh and X = O, S, Se) metal–organic frameworks

Theoretical realization of two-dimensional M3(C6X6)2 (M = Co, Cr, Cu, Fe, Mn, Ni, Pd, Rh and X = O, S, Se) metal–organic frameworks

Outstanding strength, optical characteristics and thermal conductivity of graphene-like BC3 and BC6N semiconductors

N-, B-, P-, Al-, As-, and Ga-graphdiyne/graphyne lattices: first-principles investigation of mechanical, optical and electronic properties

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