Carbon allotropes have contributed to all aspects of
people’s
lives throughout human history. As emerging carbon-based low-dimensional
materials, graphyne family members (GYF), represented by graphdiyne,
have a wide range potential applications due to their superior physical
and chemical properties. In particular, graphdiyne (GDY), as the leader
of the graphyne family, has been practically applied to various research
fields since it was first successfully synthesized. GYF have a large
surface area, both sp and sp2 hybridization, and a certain
band gap, which was considered to originate from the overlap of carbon
2p
z
orbitals and the inhomogeneous π-bonds
of carbon atoms in different hybridization forms. These properties
mean GYF-based materials still have many potential applications to
be developed, especially in energy storage and catalytic utilization.
Since most of the GYF have yet to be synthesized and applications
of successfully synthesized GYF have not been developed for a long
time, theoretical results in various application fields should be
shared to experimentalists to attract more intentions. In this Review,
we summarized and discussed the synthesis, structural properties,
and applications of GYF-based materials from the theoretical insights,
hoping to provide different viewpoints and comments.