eng
Shahid Rajaee Teacher Training University
Journal of Mathematical Nanoscience
2538-2314
2538-2314
2015-07-01
5
1-2
1
10
10.22061/jmns.2015.497
497
Modified eccentric connectivity index of fullerenes
Mardjan Hakimi-Nezhaad
m_hakimi20@yahoo.com
1
Department of Mathematics, Faculty of Science, Shahid Rajaee Teacher Training University, Tehran, 16785 – 136, I R. Iran
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.
http://jmathnano.sru.ac.ir/article_497_ebec506992b74f226a8b970cee3b5183.pdf
automorphism group
eccentric connectivity index
fullerene graph
eng
Shahid Rajaee Teacher Training University
Journal of Mathematical Nanoscience
2538-2314
2538-2314
2015-07-01
5
1-2
11
22
10.22061/jmns.2015.486
486
Band gap modulation of graphyne: A density functional theory study
Roya Majidi
royamajidi@gmail.com
1
Department of Physics, Faculty of Science, Shahid Rajaee Teacher Training University, Tehran, 16785 – 136, I R. Iran
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_24640357d26eb4f41b81b43d6e496a75.pdf
eng
Shahid Rajaee Teacher Training University
Journal of Mathematical Nanoscience
2538-2314
2538-2314
2015-07-01
5
1-2
23
29
10.22061/jmns.2015.487
487
Which fullerenes are stable?
Maryam Jalali-Rad
jalali6834@gmail.com
1
University of Kashan
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.
http://jmathnano.sru.ac.ir/article_487_d0bf5eafdb24d8090548559edfe321a3.pdf
fullerene
leapfrog operation
dual graph
graph eigenvalue
eng
Shahid Rajaee Teacher Training University
Journal of Mathematical Nanoscience
2538-2314
2538-2314
2015-07-01
5
1-2
31
44
10.22061/jmns.2015.489
489
A survey on Hosoya polynomial of some nano tubes and nano tori
Hossein Shabani
1
University of Kashan
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].
http://jmathnano.sru.ac.ir/article_489_052816b6b3f614a8a98ccfa9a955e8a7.pdf
Hosoya polynomial
Nanotube
nanotori
eng
Shahid Rajaee Teacher Training University
Journal of Mathematical Nanoscience
2538-2314
2538-2314
2015-08-04
5
1-2
45
51
10.22061/jmns.2015.507
507
Computing two types of geometric-arithmetic indices of some benzenoid graphs
Amir Loghman
loghmanamir@yahoo.com
1
Mahboobeh Saheli
2
Department of Mathematics, Payame Noor University
Department of Mathematics, Yazd university
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.
http://jmathnano.sru.ac.ir/article_507_978d47518fe65b8e005dfd1be9903e25.pdf
benzenoid graph
geometric-arithmetic index
GA5 index
eng
Shahid Rajaee Teacher Training University
Journal of Mathematical Nanoscience
2538-2314
2538-2314
2015-07-01
5
1-2
53
60
10.22061/jmns.2015.488
488
Symmetry of hyper-dodecahedra
Mircea Diudea
1
University of Cluj
http://jmathnano.sru.ac.ir/article_488_d41d8cd98f00b204e9800998ecf8427e.pdf