Related papers: Some open mathematical problems on fullerenes
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…
The formation of one-dimensional carbon chains from graphene nanoribbons is investigated using it ab initio molecular dynamics. We show under what conditions it is possible to obtain a linear atomic chain via pulling of the graphene…
We perform {\textit ab initio} calculations for the strain-induced formation of non-hexagonal-ring defects in graphene, graphane (planar CH), and graphenol (planar COH). We find that the simplest of such topological defects, the Stone-Wales…
We study the electronic states of giant single-shell and the recently discovered nested multi-shell carbon fullerenes within the tight-binding approximation. We use two different approaches, one based on iterations and the other on…
In the branch of mathematics known as graph theory, graphs are considered as a set of points, called vertices, with connections between these points, called edges. The purpose of this paper is to study mappings between two graphs that have…
It is a longstanding conjecture that every simple drawing of a complete graph on $n \geq 3$ vertices contains a crossing-free Hamiltonian cycle. We strengthen this conjecture to "there exists a crossing-free Hamiltonian path between each…
A tanglegram consists of two rooted binary trees and a perfect matching between their leaves, and a planar tanglegram is one that admits a layout with no crossings. We show that the problem of generating planar tanglegrams uniformly at…
Graphons are symmetric measurable functions that arise from a sequence of graphs. A graphon variety is the a set of all graphons defined by a condition of the form $t(g, W) = 0$ for a fixed quantum graph $g$, where $t(.,.)$ is the…
Squaregraphs were originally defined as finite plane graphs in which all inner faces are quadrilaterals (i.e., 4-cycles) and all inner vertices (i.e., the vertices not incident with the outer face) have degrees larger than three. The planar…
In a model where a multiverse wavefunction explores a multitude of vacua with different symmetries and parameters, properties of universes closely related to ours can be understood by examining the consequences of small departures of…
Graphene is a new material that exhibits remarkable properties from both fundamental and applied issues. This is a 2D matter system whose physical and mechanical features have been approached by using tight binding model, first principle…
Graphite is an example of a layered material that can be bent to form fullerenes which promise important applications in electronic nanodevices. The spheroidal geometry of a slightly elliptically deformed sphere was used as a possible…
We establish structure results for Frobenius kernels of automorphism group schemes for surfaces of general type in positive characteristics. It turns out that there are surprisingly few possibilities. This relies on properties of the famous…
Molecular graphs of unsaturated carbon frameworks or hydrocarbons pruned of hydrogen atoms, are chemical graphs. A chemical graph is a connected simple graph of maximum degree $3$ or less. A nut graph is a connected simple graph with a…
Hexagonal polyominoes are polyominoes on the honeycomb lattice. We enumerate the symmetry classes of convex hexagonal polyominoes. Here convexity is to be understood as convexity along the three main column directions. We deduce the…
We study a family of closed quantum graphs described by one singular vertex of order n=4. By suitable choice of the parameters specifying the singular vertex, we can construct a closed sequence of paths in the parameter space that…
We classify all possible 36 gap-opening instabilities in graphene-like structures in two dimensions, i.e., masses of Dirac Hamiltonian when the spin, valley, and superconducting channels are included. These 36 order parameters break up into…
A construction of hexagon relations - algebraic realizations of four-dimensional Pachner moves - is proposed. It goes in terms of "permitted colorings" of 3-faces of pentachora (4-simplices), and its main feature is that the set of…
Nowhere dense classes of graphs are very general classes of uniformly sparse graphs with several seemingly unrelated characterisations. From an algorithmic perspective, a characterisation of these classes in terms of uniform quasi-wideness,…
Let $X$ and $Y$ be any two graphs of order $n$. The friends-and-strangers graph $\mathsf{FS}(X,Y)$ of $X$ and $Y$ is a graph with vertex set consisting of all bijections $\sigma :V(X) \mapsto V(Y)$, in which two bijections $\sigma$,…