Modified eccentric connectivity index of fullerenes
Mardjan
Hakimi-Nezhaad
Department of Mathematics, Faculty of Science, Shahid Rajaee
Teacher Training University, Tehran, 16785 – 136, I R. Iran
author
text
article
2015
eng
The eccentric connectivity index of a graph is defined as E(Γ)=∑uεV(Γ)degΓ(u)e(u), where degΓ(u) denotes the degree of the vertex u in Γ and e(u) is the eccentricity of vertex u. In this paper, the modified eccentric connectivity index of two infinite classes of fullerenes is computed.
Journal of Mathematical Nanoscience
Shahid Rajaee Teacher Training University
2538-2314
5
v.
1-2
no.
2015
1
10
http://jmathnano.sru.ac.ir/article_497_ebec506992b74f226a8b970cee3b5183.pdf
dx.doi.org/10.22061/jmns.2015.497
Band gap modulation of graphyne: A density functional theory study
Roya
Majidi
Department of Physics, Faculty of Science, Shahid Rajaee Teacher Training University, Tehran, 16785 – 136, I R. Iran
author
text
article
2015
eng
Modifying the electronic properties of graphyne via doping, organic molecule adsorption, and chemical functionalization was reviewed. The electronic band structure and density of states were studied by using density functional theory. The α-graphyne was considered due to its analogous to graphene. The results indicate α-graphyne is a semimetal with zero band gap. It was shown that doping, adsorbing organic molecule, and chemical functionalization can open a band gap in α-graphyne. The size of the band gap was dependent on the concentration of impurity, adsorbed TCNE or CCl2 molecules. The mentioned methods provide the possibility of opening an energy band gap in α-graphyne as required for fabricating high-performance nanoelectronic devices based on graphyne.
Journal of Mathematical Nanoscience
Shahid Rajaee Teacher Training University
2538-2314
5
v.
1-2
no.
2015
11
22
http://jmathnano.sru.ac.ir/article_486_24640357d26eb4f41b81b43d6e496a75.pdf
dx.doi.org/10.22061/jmns.2015.486
Which fullerenes are stable?
Maryam
Jalali-Rad
University of Kashan
author
text
article
2015
eng
A fullerene is a molecule composed of carbon in the shape of a hollow sphere, ellipsoid, tube, and many other forms. The spherical ones are called buckyballs and they look like the balls used in football game. The first stable cluster of fullerenes was discovered by Kroto and his co-authors who received the Nobel Prize. In this paper, we introduced some classes of stable fullerene graphs.
Journal of Mathematical Nanoscience
Shahid Rajaee Teacher Training University
2538-2314
5
v.
1-2
no.
2015
23
29
http://jmathnano.sru.ac.ir/article_487_d0bf5eafdb24d8090548559edfe321a3.pdf
dx.doi.org/10.22061/jmns.2015.487
A survey on Hosoya polynomial of some nano tubes and nano tori
Hossein
Shabani
University of Kashan
author
text
article
2015
eng
The Hosoya polynomial of a molecular graph G is defined as H(G,x)=∑u,vϵV(G)xd(u,v), where the sum is over all unordered pairs {u,v} of distinct vertices in G. In this paper we arrange the main result about the Hosoya polynomial of armchair polyhex, Zig-Zag, TUC4C8(R/S) nanotubes and nanotorus according to Ref.s [23-27].
Journal of Mathematical Nanoscience
Shahid Rajaee Teacher Training University
2538-2314
5
v.
1-2
no.
2015
31
44
http://jmathnano.sru.ac.ir/article_489_052816b6b3f614a8a98ccfa9a955e8a7.pdf
dx.doi.org/10.22061/jmns.2015.489
Computing two types of geometric-arithmetic indices of some benzenoid graphs
Amir
Loghman
Department of Mathematics, Payame Noor University
author
Mahboobeh
Saheli
Department of Mathematics, Yazd university
author
text
article
2015
eng
The geometric-arithmetic index is a topological index was defined as $GA(G)=\sum{uv\in E(G)}\frac{2\sqrt{d_ud_v}}{d_u+d_v}}$, where du denotes the degree of vertex u in G. By replacing instead $\delta_u=\sum_{v\cong u} d_v$ of du in GA(G), we have a new version of this index that defined as $GA(G)=\sum{uv\in E(G)}\frac{2\sqrt{\delta_u\delta_v}}{\delta_u+\delta_v}}$. In this paper, we present exact formulas of these indices for some benzenoid graphs.
Journal of Mathematical Nanoscience
Shahid Rajaee Teacher Training University
2538-2314
5
v.
1-2
no.
2015
45
51
http://jmathnano.sru.ac.ir/article_507_978d47518fe65b8e005dfd1be9903e25.pdf
dx.doi.org/10.22061/jmns.2015.507
Symmetry of hyper-dodecahedra
Mircea
Diudea
University of Cluj
author
text
article
2015
eng
Journal of Mathematical Nanoscience
Shahid Rajaee Teacher Training University
2538-2314
5
v.
1-2
no.
2015
53
60
http://jmathnano.sru.ac.ir/article_488_d41d8cd98f00b204e9800998ecf8427e.pdf
dx.doi.org/10.22061/jmns.2015.488