Substitutional Doping of Asymmetrical Small Fullerene Dimers

2018 ◽  
Vol 24 (2) ◽  
pp. 888-892 ◽  
Author(s):  
Sandeep Kaur ◽  
Hitesh Sharma ◽  
Isha Mudahar
Keyword(s):  
Substitutional Doping ◽  
Fullerene Dimers ◽  
Small Fullerene

scholarly journals Substitutional doping of symmetrical small fullerene dimers

2019 ◽  
Vol 119 (23) ◽  
Author(s):  
Sandeep Kaur ◽  
Amrish Sharma ◽  
Hitesh Sharma ◽  
Shobhna Dhiman ◽  
Isha Mudahar
Keyword(s):  
Substitutional Doping ◽  
Fullerene Dimers ◽  
Small Fullerene

COLLISION DYNAMICS OF X@C60(X = He, Ne, Ar) AT LOW ENERGIES

2013 ◽  
Vol 27 (30) ◽  
pp. 1350225
Author(s):  
QIANG ZHAO ◽  
FENG-SHOU ZHANG ◽  
HONG-YU ZHOU
Keyword(s):  
Self Assembly ◽  
Collision Dynamics ◽  
Dynamics Model ◽  
Great Role ◽  
Energy Effect ◽  
Endohedral Fullerenes ◽  
Central Collisions ◽  
Low Energies ◽  
Fullerene Dimers ◽  
Semi Empirical

In this paper, a semi-empirical molecular dynamics model is developed. The central collisions of C 60 + C 60 and X@C 60 + X@C 60 ( X = He , Ne , Ar ) at various incident energy are investigated within this model. The fullerene dimers like a "dumbbell" can be formed by a self-assembly of C 60 fullerene and X@C 60 ( X = He , Ne ) endohedral fullerenes, and the new fullerene structure like "peanut" can be formed by a self-assembly of Ar@C 60. It is found that Ar atom plays a great role in the collision of Ar@C 60 + Ar@C 60 because of its size effect. The energy effect is found that various incident energies cannot change the final structure at low energies if they are below a certain energy.

scholarly journals Formation of Singly Bonded Fullerene Dimers in Electrospray Mass Spectrometry

2014 ◽  
Vol 118 (51) ◽  
pp. 30253-30259 ◽  
Author(s):  
Ina D. Kellner ◽  
Marc S. von Gernler ◽  
Manolis D. Tzirakis ◽  
Michael Orfanopoulos ◽  
Thomas Drewello
Keyword(s):  
Mass Spectrometry ◽  
Electrospray Mass Spectrometry ◽  
Fullerene Dimers

Exaltation of polarizability as a common property of fullerene dimers with diverse intercage bridges

2018 ◽  
Vol 26 (10) ◽  
pp. 661-666 ◽  
Author(s):  
Alina A. Tukhbatullina ◽  
Igor S. Shepelevich ◽  
Denis Sh. Sabirov
Keyword(s):  
Common Property ◽  
Fullerene Dimers

The Influence of Alkali Metal Cation Size on the Formation and Dissociation of Crown Ether Fullerene Dimers in Electrospray Mass Spectrometry

2015 ◽  
Vol 120 (1) ◽  
pp. 786-792 ◽  
Author(s):  
Ina D. Kellner ◽  
Marc S. von Gernler ◽  
Manolis D. Tzirakis ◽  
Michael Orfanopoulos ◽  
Thomas Drewello
Keyword(s):  
Mass Spectrometry ◽  
Crown Ether ◽  
Alkali Metal ◽  
Metal Cation ◽  
Electrospray Mass Spectrometry ◽  
Alkali Metal Cation ◽  
Fullerene Dimers ◽  
Cation Size

scholarly journals Multiple ionization and fragmentation of fullerene dimers by highly charged ion impact

2007 ◽  
Vol 88 ◽  
pp. 012039 ◽  
Author(s):  
H Zettergren ◽  
H T Schmidt ◽  
P Reinhed ◽  
N Haag ◽  
D Fisher ◽  
...  
Keyword(s):  
Multiple Ionization ◽  
Fullerene Dimers ◽  
Highly Charged Ion ◽  
Ion Impact

First Principles Calculation of Geometrical and Electronic Structure of Semiconductor Fe1-xMnxSi2

2011 ◽  
Vol 213 ◽  
pp. 483-486
Author(s):  
Fang Gui ◽  
Shi Yun Zhou ◽  
Wan Jun Yan ◽  
Chun Hong Zhang ◽  
Xiao Tian Guo ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
First Principles ◽  
Function Theory ◽  
Density Function Theory ◽  
First Principles Calculation ◽  
First Principle ◽  
Substitutional Doping ◽  
Pseudo Potential ◽  
Mn Concentrations

The electronic structure and optical properties of Fe1-xMnxSi2 have been studied using the first principle plane-wave pseudo-potential based on the density function theory. Substitutional doping is considered with Mn concentrations of x=0.0625, 0.125, 0.1875 and 0.25, respectively. The calculated results show that the volume of β-FeSi2 increase and the band gap increase with increasing of Mn.

scholarly journals Substitutional doping of Cu in diamond: Mott physics with p orbitals

2010 ◽  
Vol 77 (3) ◽  
pp. 331-336
Author(s):  
H. H. Arefi ◽  
S. A. Jafari ◽  
M. R. Abolhassani
Keyword(s):  
Substitutional Doping
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