Molecular Properties of Carbon Crystal Cubic Structures

Graph theory assumes an imperative part in displaying and planning any synthetic structure or substance organizer. Chemical graph theory facilitates in conception of the chemical graphs for their atomic properties. The graphical structure of a chemical involves atoms termed as vertices and the line segment between two different vertices are called edges. In this manuscript, our concentration is on the chemical graph of carbon graphite and cubic carbon. Additionally, we also define a procedure and calculate the degree based topological indices namely Zagreb type indices, Balaban, Forgotten and Augmented indices.

Global Search for Structures of Carbon Crystal Under Ultrahigh Pressure

In this study, a systematic search for structures of carbon crystal under ultrahigh pressure was performed by using the artificial force induced reaction method including periodic boundary conditions (PBC/SC-AFIR). To perform a search under an arbitrary pressure, an algorithm to take account of pressure was implemented in the GRRM program. At 100 GPa, the search generated 710 unique structures automatically. These structures were compared with 982 structures obtained by the search under zero pressure. The structures at 100 GPa were much denser than those under zero pressure. Besides, new structures that were denser than diamond were obtained at 100 GPa.

Global Search for Structures of Carbon Crystal Under Ultrahigh Pressure

In this study, a systematic search for structures of carbon crystal under ultrahigh pressure was performed by using the artificial force induced reaction method including periodic boundary conditions (PBC/SC-AFIR). To perform a search under an arbitrary pressure, an algorithm to take account of pressure was implemented in the GRRM program. At 100 GPa, the search generated 710 unique structures automatically. These structures were compared with 982 structures obtained by the search under zero pressure. The structures at 100 GPa were much denser than those under zero pressure. Besides, new structures that were denser than diamond were obtained at 100 GPa.

A Study of Graphene Applications

Carbon is unique in its own ways, the most special attribute of carbon is that it can make rings and long chain; even life on the earth is possible due to this property of carbon. Graphene is the first two dimensional material and it has many outstanding properties which have resulted in many exciting applications. Graphene is claimed to be so versatile that it will be able to replace present day materials. It is thought to be the perfect two-dimensional carbon crystal as it is the unique blend of properties both mechanical and electronics. Graphene is the thinnest, highly elastic, am bipolar, chemically inert, and hydrophobic, possesses record electron conductivity, high value of mobility, high thermal conductivity, high opacity, low resistivity and shows fractional quantum Hall effect and ballistic conduction and many other interesting properties that are yet be explored. Recently it has been found that the magnetic field of grapheme can be switched on and off. In this paper, I have done a comparative study of properties of grapheme and tried to produce an application of grapheme in two fields which affect us most, that are, Medicine and Electronics.

Topological Indices of Carbon Graphite and Crystal Cubic Carbon Structures via M Polynomials

Graph theory plays a crucial role in modeling and designing of chemical structure or chemical network. Chemical Graph theory helps to understand the molecular structure of molecular graph. The molecular graph consists of atoms as vertices and bonds as edges. Topological indices capture symmetry of molecular structures and give it a mathematical language to predict properties such as boiling points, viscosity, the radius of gyrations etc. In this article, we study the chemical graph of carbon Crystal structure of graphite and cubic carbon and compute several degree-based topological indices. Firstly we compute M-Polynomials of these structures and then from these M-polynomials we recover nine degree-based topological indices.