Molecular dynamic study of mechanical properties of single/double wall SiCNTs: Consideration temperature, diameter and interlayer distance
F Memarian, A Fereidoon, S Khodaei… - Vacuum, 2017 - Elsevier
In the current study, molecular dynamics (MD) simulations were employed for investigating
the influence of interlayer distance, diameter, chirality and temperature on mechanical …
the influence of interlayer distance, diameter, chirality and temperature on mechanical …
On the existence and stability of double-walled armchair silicon carbide nanotubes
K Adhikari, AK Ray - Solid state communications, 2011 - Elsevier
A systematic study of type 1 armchair double-walled SiC nanotubes (DWNTs)(n, n)@(m,
m)(3≤ n≤ 6; 7≤ m≤ 12) using the finite cluster approximation is presented. The …
m)(3≤ n≤ 6; 7≤ m≤ 12) using the finite cluster approximation is presented. The …
Effect of titanium impurity on electronic properties of double-walled nanotubes: theoretical approach
JA Talla, MS Alzrigat - Russian Journal of Inorganic Chemistry, 2022 - Springer
The structural and electronic properties of two-layer boron nitride nanotubes doped with
transition metals have been studied using the magnification functional method. Based on the …
transition metals have been studied using the magnification functional method. Based on the …
Effect of inter-wall coupling on the electronic structure and optical properties of group-III doped SiCNTs
P Gong, YZ Li, MY Sun, XY Fang, XL Jing… - Physica B: Condensed …, 2021 - Elsevier
The inter-wall coupling mechanism is studied by comparing the group-III doped on the inner
and outer walls of DWSiCNTs and SWSiCNTs differs in band structure and optical …
and outer walls of DWSiCNTs and SWSiCNTs differs in band structure and optical …
First principle study of the structural, electronic and magnetic properties of Fe, Co, Ni atomic nanochains encapsulated in single walled and double walled beryllium …
R Moradian, M Shahrokhi, S Moradian - Physica E: Low-dimensional …, 2013 - Elsevier
By using first-principles calculations within the density function theory, the structural,
electronic and magnetic properties of transition metals TM (TM= Fe, Co and Ni) atomic …
electronic and magnetic properties of transition metals TM (TM= Fe, Co and Ni) atomic …
Molecular dynamics study of phonon and thermoelectric properties of hydrogen-passivated silicon carbide nanotubes
HA Badehian, K Gharbavi - Vacuum, 2022 - Elsevier
Abstract We utilize the Molecular Dynamics (MD) to calculate the phonon and thermoelectric
properties of pure and hydrogen-passivated silicon carbide nanotubes. It is found that …
properties of pure and hydrogen-passivated silicon carbide nanotubes. It is found that …
Electronic structures and stability of double-walled armchair (n,n)@(m,m) SiC nanotubes
M Motaharinejad, T Movlarooy… - Journal of …, 2023 - Springer
In this work, we have investigated the stability and electronic properties of armchair double-
walled SiC nanotubes (DWSiCNTs) based on density functional theory with the SIESTA …
walled SiC nanotubes (DWSiCNTs) based on density functional theory with the SIESTA …
First-principles study of structural and electronic properties of lithium doped SiC nanotubes
M Khodadad, SM Baizaee, M Yuonesi… - Physica E: Low …, 2014 - Elsevier
Abstract Here, SiCNT (8, 8) bundled in tetragonal-P crystalline structure doped with lithium
atom has been studied by density functional theory. We present the results of calculations on …
atom has been studied by density functional theory. We present the results of calculations on …
Cluster modeling of three types of double-walled armchair silicon carbide nanotubes
K Adhikari, AK Ray - The European Physical Journal D, 2011 - Springer
A systematic study of three types of armchair double-walled SiC nanotubes (DWNT)(n,
n)@(m, m)(3≤ n≤ 6; 7≤ m≤ 12) using the finite cluster approximation is presented. The …
n)@(m, m)(3≤ n≤ 6; 7≤ m≤ 12) using the finite cluster approximation is presented. The …
Existence and stability of co-axial and meshed double-walled armchair silicon nanotubes
H Chen, AK Ray - Physica E: Low-dimensional Systems and …, 2013 - Elsevier
A systematic study of armchair double-walled Si nanotubes (DWNT)(n, n)@(m, m)(3≤ n≤ 6;
7≤ m≤ 12) using the finite cluster approximation is presented. The geometries of the tubes …
7≤ m≤ 12) using the finite cluster approximation is presented. The geometries of the tubes …