Since the birth of the concept of machine learning interatomic potentials (MLIPs) in 2007, a
growing interest has been developed in the replacement of empirical interatomic potentials …

Graphene's success has led to the theoretical prediction and experimental synthesis of
various 2D carbon-based allotropes. To explore the mechanical, structural, electronic, and …

Intrinsic thermoelectric properties in biphenylene nanoribbons (BNRs) and effect of lattice
defects are investigated by employing the nonequilibrium Green's function. A comparative …

The continued interest in 2D carbon allotropes stems from their unique structural and
electronic characteristics, which are crucial for diverse applications. This work theoretically …

The biphenylene network (BPN) is notable in recent fabrication efforts to design new 2D
materials. The stability of its boron nitride counterpart, BN-BPN, has been confirmed through …

New monolayer 2D carbon structures, namely qHPC 60 and qTPC 60, were recently
synthesized by covalently bonding C 60 polymers. Here, we carried out Reactive (ReaxFF) …

Graphyne and two-dimensional porous carbon-based materials have garnered significant
attention due to their interesting structural characteristics and essential properties for new …

Recently, the synthesis of biphenylene inspires the substantial attention on the two-
dimensional allotrope of carbon. Although elastic, thermal, and electronic properties of …

Abstract Porous two-dimensional (2D) materials with semiconducting property are promising
candidates for a variety of multifunctional energy harvesting applications. Motivated by the …

The numerous applications of carbon-based nanomaterials clearly demonstrate the
importance of polymorphism in carbon. Two-dimensional biphenylene is a recently …