Energy gaps of graphene clusters: the first-principles calculations based on high-throughput screening
Sign Up to like & getrecommendations! Published in 2017 at "Molecular Simulation"
DOI: 10.1080/08927022.2017.1279284
Abstract: Abstract With the enumeration of the triangular lattice fragments, we have systematically investigated the graphene clusters (CnHm, n = 14 – 24) with various sizes and shapes, whose structural stabilities and electronic properties are studied… read more here.
Keywords: energy gaps; principles calculations; graphene clusters; first principles ... See more keywords
Correlated quantum dynamics of graphene clusters
Sign Up to like & getrecommendations! Published in 2022 at "Physical Review B"
DOI: 10.1103/physrevb.107.134306
Abstract: Phase-space representations are a family of methods for dynamics of both bosonic and fermionic systems, that work by mapping the system's density matrix to a quasi-probability density and the Liouville-von Neumann equation of the Hamiltonian… read more here.
Keywords: system; quantum dynamics; graphene clusters; correlated quantum ... See more keywords