Mechanical properties of graphene nanoribbons
Herein, we investigate the structural, electronic and mechanical properties of zigzag
graphene nanoribbons in the presence of stress by applying density functional theory within …
graphene nanoribbons in the presence of stress by applying density functional theory within …
Full symmetry implementation in condensed matter and molecular physics—Modified group projector technique
M Damnjanović, I Milošević - Physics Reports, 2015 - Elsevier
Symmetry is well established as one of the fundamental concepts in physics, accurately
extracting relevant characteristics of the studied object, giving deep and transparent insight …
extracting relevant characteristics of the studied object, giving deep and transparent insight …
Ab initio calculations of the mechanical and electronic properties of strained Si nanowires
PW Leu, A Svizhenko, K Cho - Physical Review B—Condensed Matter and …, 2008 - APS
This paper reports a systematic study of the mechanical and electronic properties of strained
small diameter (0.7–2.6 nm) silicon nanowires (Si NWs) using ab initio density functional …
small diameter (0.7–2.6 nm) silicon nanowires (Si NWs) using ab initio density functional …
Systematic Enumeration of sp3 Nanothreads
Slow decompression of crystalline benzene in large-volume high-pressure cells has recently
achieved synthesis of a novel one-dimensional allotrope of sp3 carbon in which stacked …
achieved synthesis of a novel one-dimensional allotrope of sp3 carbon in which stacked …
Lightweight graphene composite materials
This chapter reports on the various production, fabrication, and modeling details undertaken
for the creation of lightweight graphene-based polymer composite materials. Among all the …
for the creation of lightweight graphene-based polymer composite materials. Among all the …
Mechanical properties of grafold: a demonstration of strengthened graphene
Morphological patterns and structural features play crucial roles in the physical properties of
functional materials. In this paper, the mechanical properties of grafold, an architecture of …
functional materials. In this paper, the mechanical properties of grafold, an architecture of …
Simulation of mechanical parameters of graphene using the DREIDING force field
SN Korobeynikov, VV Alyokhin, AV Babichev - Acta Mechanica, 2018 - Springer
Molecular mechanics/molecular dynamics (MM/MD) methods are widely used in computer
simulations of deformation (including buckling, vibration, and fracture) of low-dimensional …
simulations of deformation (including buckling, vibration, and fracture) of low-dimensional …
Diameter dependence of mechanical, electronic, and structural properties of InAs and InP nanowires: A first-principles study
CL Dos Santos, P Piquini - Physical Review B—Condensed Matter and …, 2010 - APS
Semiconductor nanowires (NWs) have ideal morphologies to act as active parts and
connections in nanodevices since they naturally restrict the conduction channels and …
connections in nanodevices since they naturally restrict the conduction channels and …
Ab Initio Calculations of the Atomic Structure, Stability, and Electronic Properties of (C6H10O5)2 Encapsulation into Hydrogen-Doped Carbon Nanotube
This research investigated the Hydrogen doping of the single-walled carbon nanotube
(HCNT) with encapsulated cellulose,(C6H10O5) 2, and provide theoretical predictions on …
(HCNT) with encapsulated cellulose,(C6H10O5) 2, and provide theoretical predictions on …
A comparative DFT study on Al-and Si-doped single-wall carbon nanotubes (SWCNTs) for Ribavirin drug sensing and detection
SS Dalgic, ZH Al-Sawaff, S Dalgic… - Materials Science in …, 2023 - Elsevier
In this work, we have presented a comparative study on Ribavirin (RBV) drug sensing and
detection on the pristine and functionalized single-wall carbon nanotubes (f-SWCNTs) by …
detection on the pristine and functionalized single-wall carbon nanotubes (f-SWCNTs) by …