Shahid Rajaee Teacher Training University
Journal of Mathematical Nanoscience
2538-2314
5
1-2
2015
07
01
Modified eccentric connectivity index of fullerenes
1
10
EN
Mardjan
Hakimi-Nezhaad
Department of Mathematics, Faculty of Science, Shahid Rajaee
Teacher Training University, Tehran, 16785 – 136, I R. Iran
m_hakimi20@yahoo.com
10.22061/jmns.2015.497
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.
automorphism group,eccentric connectivity index,fullerene graph
http://jmathnano.sru.ac.ir/article_497.html
http://jmathnano.sru.ac.ir/article_497_ebec506992b74f226a8b970cee3b5183.pdf
Shahid Rajaee Teacher Training University
Journal of Mathematical Nanoscience
2538-2314
5
1-2
2015
07
01
Band gap modulation of graphyne: A density functional theory study
11
22
EN
Roya
Majidi
Department of Physics, Faculty of Science, Shahid Rajaee Teacher Training University, Tehran, 16785 – 136, I R. Iran
royamajidi@gmail.com
10.22061/jmns.2015.486
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.
http://jmathnano.sru.ac.ir/article_486.html
http://jmathnano.sru.ac.ir/article_486_24640357d26eb4f41b81b43d6e496a75.pdf
Shahid Rajaee Teacher Training University
Journal of Mathematical Nanoscience
2538-2314
5
1-2
2015
07
01
Which fullerenes are stable?
23
29
EN
Maryam
Jalali-Rad
University of Kashan
jalali6834@gmail.com
10.22061/jmns.2015.487
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.
fullerene,leapfrog operation,dual graph,graph eigenvalue
http://jmathnano.sru.ac.ir/article_487.html
http://jmathnano.sru.ac.ir/article_487_d0bf5eafdb24d8090548559edfe321a3.pdf
Shahid Rajaee Teacher Training University
Journal of Mathematical Nanoscience
2538-2314
5
1-2
2015
07
01
A survey on Hosoya polynomial of some nano tubes and nano tori
31
44
EN
Hossein
Shabani
University of Kashan
10.22061/jmns.2015.489
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].
Hosoya polynomial,Nanotube,nanotori
http://jmathnano.sru.ac.ir/article_489.html
http://jmathnano.sru.ac.ir/article_489_052816b6b3f614a8a98ccfa9a955e8a7.pdf
Shahid Rajaee Teacher Training University
Journal of Mathematical Nanoscience
2538-2314
5
1-2
2015
08
04
Computing two types of geometric-arithmetic indices of some benzenoid graphs
45
51
EN
Amir
Loghman
Department of Mathematics, Payame Noor University
loghmanamir@yahoo.com
Mahboobeh
Saheli
Department of Mathematics, Yazd university
10.22061/jmns.2015.507
The geometric-arithmetic index is a topological index was defined as $GA(G)=sum{uvin E(G)}frac{2sqrt{d_ud_v}}{d_u+d_v}}$, where du denotes the degree of vertex u in G. By replacing instead $delta_u=sum_{vcong u} d_v$ of du in GA(G), we have a new version of this index that defined as $GA(G)=sum{uvin E(G)}frac{2sqrt{delta_udelta_v}}{delta_u+delta_v}}$. In this paper, we present exact formulas of these indices for some benzenoid graphs.
benzenoid graph,geometric-arithmetic index,GA5 index
http://jmathnano.sru.ac.ir/article_507.html
http://jmathnano.sru.ac.ir/article_507_978d47518fe65b8e005dfd1be9903e25.pdf
Shahid Rajaee Teacher Training University
Journal of Mathematical Nanoscience
2538-2314
5
1-2
2015
07
01
Symmetry of hyper-dodecahedra
53
60
EN
Mircea
Diudea
University of Cluj
10.22061/jmns.2015.488
http://jmathnano.sru.ac.ir/article_488.html
http://jmathnano.sru.ac.ir/article_488_d41d8cd98f00b204e9800998ecf8427e.pdf