Graphdiyne and graphyne: from theoretical predictions to practical construction

Abstract

Flat carbon (sp(2) and sp) networks endow the graphdiyne and graphyne families with high degrees of π-conjunction, uniformly distributed pores, and tunable electronic properties; therefore, these materials are attracting much attention from structural, theoretical, and synthetic scientists wishing to take advantage of their promising electronic, optical, and mechanical properties. In this Review, we summarize a state-of-the-art research into graphdiynes and graphynes, with a focus on the latest theoretical and experimental results. In addition to the many theoretical predictions of the potential properties of graphdiynes and graphynes, we also discuss experimental attempts to synthesize and apply graphdiynes in the areas of electronics, photovoltaics, and catalysis.

Penta-graphene: A new carbon allotrope

“…A wealth of 2D carbon allotropes beyond graphene has since been studied (see SI Appendix, Table S1 for details). Although some of these polymorphs such as graphdiyne (6) are metastable compared with graphene, they have been successfully synthesized. Moreover, some 2D carbon allotropes are predicted to exhibit remarkable properties that even outperform graphene, such as anisotropic Dirac cones (9), inherent ferromagnetism (10), high catalytic activity (6), and potential superconductivity related to the high density of states at the Fermi level (11).…”

“…carbon allotrope | carbon pentagon | stability | negative Poisson's ratio | electronic structure C arbon is one of the most versatile elements in the periodic table and forms a large number of allotropes ranging from the well-known graphite, diamond, C 60 fullerene (1), nanotube (2), and graphene (3) to the newly discovered carbon nanocone (4), nanochain (5), graphdiyne (6), as well as 3D metallic structures (7,8). The successful synthesis of graphene (3) has triggered considerable interest in exploring novel carbon-based nanomaterials.…”

A Shape-Persistent Polyphenylene Spoked Wheel

“…5 With the combination of sp-, sp 2 -, and sp 3 -hybridized carbon atoms, a number of 2D carbon materials with different architectures have also been synthesized and/or theoretically predicted. 2,[6][7][8][9][10][11][12][13][14][15][16][17][18] In particular, graphene has attracted major attention during the last decade, which also stimulated the studies of other 2D carbon materials such as γ-graphyne and graphdiyne ( Figure 1). 10,11,14,19,20 Atomically precise syntheses of γ-graphyne and graphdiyne remain elusive, but widely studied phenylene-ethynylene-based macrocycles can be regarded as their molecular subunits.…”

“…2,[6][7][8][9][10][11][12][13][14][15][16][17][18] In particular, graphene has attracted major attention during the last decade, which also stimulated the studies of other 2D carbon materials such as γ-graphyne and graphdiyne ( Figure 1). 10,11,14,19,20 Atomically precise syntheses of γ-graphyne and graphdiyne remain elusive, but widely studied phenylene-ethynylene-based macrocycles can be regarded as their molecular subunits. [21][22][23][24][25] The electronic properties of 2D carbon materials are critically dependent on the composition and arrangement of the sp-, and sp 2 -, and/or sp 3 -hybridized carbon atoms.…”

“…Nevertheless, the number of reported examples of 2D carbon materials is still limited. 2,[6][7][8][9][10][11][12][13][14][15][16][17][18] By replacing ethynylene groups of γ-graphyne and graphdiyne with p-phenylene units, two purely sp 2 -hybridized 2D carbon structures with hexagonal symmetry can be conceived, which we name graphenylene-1 and graphenylene-2, respectively ( Figure 1). Notably, graphenylene-1 corresponds to a single-layer substructure of the hypothetical carbon allotrope "cubic graphite", 26 the synthesis of which still remains elusive.…”