Engineering of Hydrogenated (6, 0) Single-Walled Carbon Nanotube under Applied Uniaxial Stress: A DFT-1/2 and Molecular Dynamics Study

YT Singh, B Chettri, L Kima, Z Renthlei, PK Patra… - ACS …, 2023 - ACS Publications
Herein, we systematically studied the electronic, optical, and mechanical properties of a
hydrogenated (6, 0) single-walled carbon nanotube [(6, 0) h-SWCNT] under applied uniaxial …

First-principles study of the formation of single-walled SiC nanotubes from bilayered SiC ribbons

D Mahendiran, P Murugan - Physical Review B, 2023 - APS
In this paper, we demonstrate by employing first-principles density functional theory
calculations that AB or Bernal-type stacked armchair and AB′ zigzag bilayered SiC …

Functionalized semiconducting carbon nanotube arrays for gas phase explosives detection

M Doshi, EP Fahrenthold - Surface Science, 2022 - Elsevier
Single molecule detection systems are of considerable practical interest in sensing
applications, such as disease detection or transient kinetics monitoring, where ultra …

Study of electronic and mechanical properties of single walled Carbon nanotube (SWCNT) via substitutional Boron doping in zigzag and armchair pattern

YT Singh, PK Patra, NN Hieu, DP Rai - Surfaces and Interfaces, 2022 - Elsevier
Herein, we have studied the electronic and mechanical properties of Boron (B) doped (6, 1)
SWCNT in zigzag and armchair pattern by using Density Functional Theory (DFT) and ab …

First-principles insights on the bonding mechanism and electronic structure of SWCNT and oxygenated-SWCNT functionalized by cellulose biopolymer

AAZ Munio, AAG Pido… - Nano Hybrids and …, 2023 - Trans Tech Publ
Here, we report the bonding mechanism and electronic structure of single-walled carbon
nanotube and oxygenated single-walled carbon nanotube functionalized by cellulose chain …

Chirality and length-dependent electron transmission of fullerene-capped chiral carbon nanotubes sandwiched in gold electrodes

A Kumar, S Sarkar, D Cho - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
In order to develop high-performance CNT-based electronic and optoelectronic devices, it is
crucial to establish the relationship between the electron transport properties of carbon …

First principles study on electronic and optical properties of single walled carbon nanotube for photonics application

SNM Halim, MFM Taib, F Ahmad - IOP Conference Series …, 2021 - iopscience.iop.org
Recent research works on single-walled carbon nanotube (SWCNT) based material has
witnessed a great technological importance in photonic applications due to their unique …

Asymmetric deformation density analysis in carbon nanotubes

S Amini, SM Azami - International Journal of Quantum …, 2020 - Wiley Online Library
Electrons and holes as charge carriers appear when a molecular system is exposed to
external electric field. For nonsymmetric molecules, the distribution of charge carriers is also …

Chirality dependent empirical modeling of optical transitions and bandgapsin carbon nanotubes and graphene nanoribbons

GRA Jamal - 2022 - lib.buet.ac.bd
Single wall carbon nanotubes (SWCNTs), double wall carbon nanotubes (DWCNTs) and
graphene nanoribbons (GNRs) have unique electronic and optical properties. SWCNT is …

[图书][B] Creation of Hand Sensors and Orthotics to Capture and Replicate Human Movement and Forces

EF Austin Jr - 2021 - search.proquest.com
Paralysis is a debilitating condition affecting as many as 5.4 million in the United States.
Upper extremity paralysis/paresis is the most debilitating form of paralysis due to the robust …