Structural, electronic and mechanical properties of all-sp2 carbon allotropes with density lower than graphene

Abstract

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Two-dimensional C5678: a promising carbon-based high-performance lithium-ion battery anode

“…[3][4][5] Recent studies indicate that introducing defects into pristine graphene is a good strategy to suppress the formation of lithium clusters on the surface of graphene. 4,6,7 Although the presence of structural defects such as vacancy and Stone-Wales defects destroys the perfect symmetry of graphene; it also produces many local electron-deficient regions around the defects [8][9][10] and many effective adsorption positions for lithium atoms on the surface of graphene. This results in a significant increase in the lithium storage capacity of graphene nanomaterials.…”

Mechanical Properties and Buckling of Kagome Graphene under Tension: A Molecular Dynamics Study

“…In KG, using a larger simulation size can begin to illustrate otherwise unobserved behavior under loading, such as wrinkling, which would not be observed on sub-nanometer length scales. There has been limited work on KG's mechanical properties using small (less than 1000 atom) DFT simulations [15,16]. Similarly, Zhao et al [8] reported use of a molecular static study to test the material properties of three graphene allotropes, including "cyclicgraphene" as named, which has a similar atomic structure of KG of this study.…”

Structure and Properties of Pseudo-Graphenes. Review

“…In Ref. [86], where two metallic materials were predicted-tilene and flakene -two more materials were described as semiconductors -liskene and liskenedaughter.…”

“…This material is predicted to remain stable below 1000 K. Later in 2019, in Ref. [86] -tilene and flakene were described as metals thermal stability up to 500 K. Tilene's Young's module and Poisson's ratio are 0.235 TPa and 0.607, respectively, and UTS is 44.8 GPa. Flakene's Young's module and Poisson's ratio are 0.115 TPa and 0.746, respectively, and UTS is 23.6 GPa.…”

“…Fig.5. Pseudo-graphene crystals: a) C3-8 reported in[47], b) haeckelite-like reported in[37], c) C4612-sheet reported in[37] (cyclotrimerizatedgraphyne[30]), d) liskene[86], e) liskene-daughter reported in[86]. Red rhombs or squares mark the borders of the primitive cells in pseudo-graphene crystal lattice.…”