Superconductivity in doped fullerenes

2007 ◽  
pp. 295-315 ◽  
Author(s):  
Stephan Gärtner
Keyword(s):  
Doped Fullerenes

Experimental and computational studies of Si-doped fullerenes

1999 ◽  
Vol 9 (1) ◽  
pp. 337-340 ◽  
Author(s):  
I.M.L. Billas ◽  
F. Tast ◽  
W. Branz ◽  
N. Malinowski ◽  
M. Heinebrodt ◽  
...  
Keyword(s):  
Computational Studies ◽  
Doped Fullerenes ◽  
Si Doped

Formation of Sb- and Te-doped fullerenes by using nuclear recoil and molecular-dynamics simulations

2001 ◽  
Vol 64 (12) ◽  
Author(s):  
T. Ohtsuki ◽  
K. Ohno ◽  
K. Shiga ◽  
Y. Kawazoe ◽  
Y. Maruyama ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Nuclear Recoil ◽  
Doped Fullerenes ◽  
Dynamics Simulations

An Ultimate Investigation on the Adsorption of Amantadine on Pristine and Decorated Fullerenes C59X (X=Si, Ge, B, Al, Ga, N, P, and As): A DFT, NBO, and QTAIM Study

2020 ◽  
pp. 1-17
Author(s):  
Mohsen Doust Mohammadi ◽  
Idris H. Salih ◽  
Hewa Y. Abdullah
Keyword(s):  
Electronic Properties ◽  
Intermolecular Interactions ◽  
Density Functional ◽  
Physical Adsorption ◽  
Single Point ◽  
Basis Set ◽  
Total Density ◽  
Electron Configuration ◽  
Doped Fullerenes ◽  
Donor Acceptor

In this investigation, the feasibility of detecting the amantadine (AMD) molecule onto the outer surface of pristine fullerene (C[Formula: see text]), as well as C[Formula: see text]X ([Formula: see text], Ge, B, Al, Ga, N, P, and As) decorated structures, was carefully evaluated. For achieving this goal, a density functional theory level of study using the HSEH1PBE functional together with a 6-311G(d) basis set has been used. Subsequently, the B3LYP-D3, wB97XD and M062X functionals with a 6-311G(d) basis set were also employed to consider the single point energies. Natural bond orbital (NBO) and the quantum theory of atoms in molecules (QTAIM) were implemented using the B3LYP-D3/6-311G(d) method and the results were compatible with the electronic properties. In this regard, the total density of states (TDOSs), the Wiberg bond index (WBI), natural charge, natural electron configuration, donor–acceptor NBO interactions, and the second-order perturbation energies are performed to explore the nature of the intermolecular interactions. All of the energy calculations and population analyses denote that by adsorbing of the AMD molecule onto the surface of the considered nanostructures, the intermolecular interactions are of the type of strong physical adsorption. Among the doped fullerenes, Ge-doped structure has very high adsorption energy compared to other elements. Generally, it was revealed that the sensitivity of the adsorption will be increased when the AMD molecule interacts with the decorated fullerenes and decrease the HOMO–LUMO band gap; therefore, the change of electronic properties can be used to design suitable nanocarrier.

Electron-Phonon Coupling in Superconducting Alkali-Metal Doped Fullerenes

1992 ◽  
Vol 270 ◽  
Author(s):  
R.A. Jishi ◽  
M.S. Dresseliiaus
Keyword(s):  
Experimental Data ◽  
Alkali Metal ◽  
Phonon Mode ◽  
Coupling Parameter ◽  
Tight Binding ◽  
Superconducting Transition ◽  
Phonon Coupling ◽  
Doped Fullerenes ◽  
Electron Phonon Coupling ◽  
Metal Doped

ABSTRACTThe dimensionless electron-phonon coupling parameter in alkali metal-doped fullerenes isevaluated in a model whereby the electrons are treated within a tight binding formalism.The phonon mode frequencies and eigenvectors are obtained from a lattice dynamical modelwhich accurately fits all available experimental data on these modes. It is shown that the electrormphonon interaction can account for the relatively high values of the superconducting transition temperatures in alkali-metal fullerenes.

Superconductivity of Doped Fullerenes

1991 ◽  
Vol 16 (8) ◽  
pp. 751-756 ◽  
Author(s):  
S Chakravarty ◽  
S Kivelson
Keyword(s):  
Doped Fullerenes

Electronic properties of doped fullerenes

2001 ◽  
Vol 64 (5) ◽  
pp. 649-699 ◽  
Author(s):  
László Forró ◽  
László Mihály
Keyword(s):  
Electronic Properties ◽  
Doped Fullerenes

Structure and physical properties of iodine-doped fullerenes

1993 ◽  
Vol 19 (1-2) ◽  
pp. 100-104 ◽  
Author(s):  
Mototada Kobayashi ◽  
Yuichi Akahama ◽  
Haruki Kawamura ◽  
Hisanori Shinohara ◽  
Hiroyasu Sato ◽  
...  
Keyword(s):  
Physical Properties ◽  
Doped Fullerenes

scholarly journals Structural and thermal properties of silicon-doped fullerenes

2003 ◽  
Vol 119 (2) ◽  
pp. 1127-1135 ◽  
Author(s):  
P. A. Marcos ◽  
J. A. Alonso ◽  
L. M. Molina ◽  
A. Rubio ◽  
M. J. López
Keyword(s):  
Thermal Properties ◽  
Doped Fullerenes ◽  
Silicon Doped
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