Related papers: Creating molecular structures from bilayer graphen…
We present a scheme to categorize the structure of different layered phosphorene allotropes by mapping their non-planar atomic structure onto a two-color 2D triangular tiling pattern. In the buckled structure of a phosphorene monolayer, we…
We present a computational study of assembling carbon clusters and nanophases in space from carbon aggregations. Geometry optimizations and Density-functional-based tight-binding (SCC-DFTB) dynamics methods are employed to predict carbon…
Suppose a relatively elliptic representation $\rho$ of the fundamental group of the thrice-punctured sphere $S$ is given. We prove that all projective structures on $S$ with holonomy $\rho$ and satisfying a tameness condition at the…
The current paper presents the second part of the study devoted to composites formed by fullerene C60 and single-walled carbon nanotube ([C60-(4,4)] carbon nanobud). The formation of composites is considered from the basic points related to…
A structural model for intermediate sized silicon clusters is proposed that is able to generate unique structures without any dangling bonds. This structural model consists of bulk-like core of five atoms surrounded by fullerene-like…
A structural model for intermediate sized silicon clusters is proposed that is able to generate unique structures without any dangling bonds. This structural model consists of bulk-like core of five atoms surrounded by fullerene-like…
Boundary Representation (B-Rep) is the widely adopted standard in Computer-Aided Design (CAD) and manufacturing. However, generative modeling of B-Reps remains a formidable challenge due to their inherent heterogeneity as geometric cell…
Twisted bilayer graphene is a rich condensed matter system, which allows one to tune energy scales and electronic correlations. The low-energy physics of the resulting moir\'e structure can be mathematically described in terms of a…
We present an atomic-resolution observation and analysis of graphene constrictions and ribbons with sub-nanometer width. Graphene membranes are studied by imaging side spherical aberration-corrected transmission electron microscopy at 80…
We describe a simple model, based on the preon model of Shupe and Harari, in which the binding of preons is represented topologically. We then demonstrate a direct correspondence between this model and much of the known phenomenology of the…
The formation of graphen-nanotube composites addresses a few basic problems. First, both partners are good donors and acceptors of electrons, which significantly complicates the intermolecular interaction between them leading to a two-well…
Based on the third allotropic form of carbon (Fullerenes) through theoretical study have been predicted structures described as non-classical fullerenes. We have studied novel allotropic carbon structures with a closed cage configuration…
We use large scale ab-initio calculations to describe electronic structures of graphene, graphene nanoribbons, and carbon nanotubes periodically perforated with nanopores. We disclose common features of these systems and develop a unified…
We present a paradigm in constructing very stable, faceted nanotube and fullerene structures by laterally joining nanoribbons or patches of different planar phosphorene phases. Our ab initio density functional calculations indicate that…
We theoretically investigate a folded bilayer graphene structure as an experimentally realizable platform to produce the one-dimensional topological zero-line modes. We demonstrate that the folded bilayer graphene under an external gate…
Using systematic evolutionary structure searching we propose a new carbon allotrope, phagraphene, standing for penta-hexa-hepta-graphene, because the structure is composed of 5-6-7 carbon rings. This two-dimensional (2D) carbon structure is…
Being ubiquitous, solitons have particle-like properties, exhibiting behaviour often associated with atoms. Bound solitons emulate dynamics of molecules, though solitonic analogues of polymeric materials have not been considered yet. Here…
The discovery of group IV and V elemental Xene's which exhibit topologically non-trivial characters natively in their honeycomb lattice structure (HLS) has led to extensive efforts in realising analogous behaviour in group VI elemental…
On the basis of the "molecular-orbital" representation which describes generic flat-band models, we propose a systematic way to construct a class of flat-band models with finite-range hoppings that have topological natures. In these models,…
In this paper, the tiling of the Euclidean plane with regular hexagons whose vertices are occupied by carbon atoms is called the graphene. We describe six different ways to generate the graphene by the means of group theory. There are two…