Research Article
Topological Aspects of Boron Nanotubes
Jia-Bao Liu ,
1
Hani Shaker ,
2
Imran Nadeem ,
2
and Muhammad Hussain
2
1
School of Mathematics and Physics, Anhui Jianzhu University, Hefei 230601, China
2
Department of Mathematics, COMSATS University Islamabad, Lahore Campus, Lahore, Pakistan
Correspondence should be addressed to Hani Shaker; hani.uet@gmail.com
Received 6 April 2018; Accepted 16 May 2018; Published 4 July 2018
Academic Editor: Jamal Berakdar
Copyright © 2018 Jia-Bao Liu et al. is is an open access article distributed under the Creative Commons Attribution License,
which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
e degree-based topological indices are used to correlate the physical and chemical properties of a molecule with its chemical
structure. Boron nanotubular structures are high-interest materials due to the presence of multicenter bonds and have novel
electronic properties. ese materials have some important issues in nanodevice applications like mechanical and thermal
stability. erefore, they require theoretical studies on the other properties. In this paper, we present certain degree-based
topological indices such as ABC, the fourth ABC, GA, and the fifth GA indices for boron triangular and boron-α nanotubes.
1. Introduction
Mathematical chemistry is a branch of theoretical chemistry
in which we get information about the molecular structure
by using mathematical techniques without assigning that
structure to quantum mechanics [1, 2]. Chemical graph
theory is a branch of mathematical chemistry which im-
plements graph theory to study mathematical modeling of
chemical aspects [3]. is theory shows a prominent effect
on the extension of the chemical sciences [4].
e chemical structure of a molecule is strongly related
to its chemical properties such as strain energy, boiling
point, and heat of formation. Molecular graphs can be used
to model the chemical structures of molecules and molecular
compounds by considering atoms as vertices and the
chemical bonds between the atoms as edges. Consider
molecular graph G having vertex set V
G
and edge set E
G
. Let
I
G
be the set of edges of G that are incident with a vertex
p ∈ V
p
, then the degree of p is defined as the cardinality of
the set I
G
and δ
p
�
q∈N
p
d
q
, where set N
p
consists of all
neighbor vertices of p, that is, N
p
� q ∈ V
G
| pq ∈ E
G
.
A topological index is the graph invariant which is
used to correlate the physical and chemical properties of
a chemical compound with its molecular graph. In this
sense, topological indices are based on several topological
aspects of the corresponding molecular graph. e use of
topological indices is particularly important when using
experimental methods leads to waste of time and financial
expenditures in large amounts and theoretical methods
have not been successful. Topological indices are used to
correlate physical properties of chemical structures in
QSPR/QSAR studies and provide a measure of structural
similarity/stability/diversity of chemical databases. e
relative stability of the fullerenes has been correlated with
topological indices in [5]. In [6], topological indices are also
usedtopredictthestableisomersofagivenfullerene,andfor
detailed study, we refer [7].
Generally, topological indices can be categorized in three
classes: degree-based, distance-based, and spectrum-based
indices. In this paper, certain degree-based topological in-
dices are going to be discussed because of their great ap-
plications in chemical graph theory. For recent study of
distance-based indices, we refer [8, 9], and for spectrum-
based indices, we refer [10, 11].
e first degree-based topological index is the Randi´ c
connectivity index which was presented by Randi´ c [12] and
is defined as
χ(G)�
pq∈E
G
1
����
d
p
d
q
.
(1)
is index has been shown to reflect molecular branching
and is deeply examined by chemists and mathematicians
[13, 14]. Many physical and chemical properties depend on
Hindawi
Advances in Materials Science and Engineering
Volume 2018, Article ID 5729291, 11 pages
https://doi.org/10.1155/2018/5729291