Structural, mechanical, and electronic properties of nanotubes based on buckled arsenene: A first-principles study
Sign Up to like & getrecommendations! Published in 2020 at "Materials today communications"
DOI: 10.1016/j.mtcomm.2019.100791
Abstract: Abstract At present work, the structural, mechanical, and electronic properties of zigzag and armchair buckled arsenene nanotubes are investigated using density functional theory. All nanotubes are found to be stable by means of vibrational spectra… read more here.
Keywords: armchair; mechanical electronic; electronic properties; structural mechanical ... See more keywords
Zigzag and armchair AlN nanotubes as anode materials for Mg-ion batteries: Computational study
Sign Up to like & getrecommendations! Published in 2020 at "Solid State Sciences"
DOI: 10.1016/j.solidstatesciences.2020.106448
Abstract: Abstract We studied the potential application of a zigzag and an armchair AlN nanotube (AlNNT) as an anode material for the Mg-ion batteries (MIBs) using B3LYP-gCP-D3/6-31G* model chemistry. The Mg2+ adsorption energy on the zigzag… read more here.
Keywords: armchair; adsorption; zigzag; energy ... See more keywords
Buckling-dependent switching behaviours in shifted bilayer germanene nanoribbons: A computational study
Sign Up to like & getrecommendations! Published in 2017 at "Superlattices and Microstructures"
DOI: 10.1016/j.spmi.2017.11.052
Abstract: Abstract Bilayer germanene nanoribbons are investigated in different stacks like buckled and flat armchair and buckled zigzag germanene nanoribbons by performing theoretical calculations using the nonequilibrium Greens function method combined with density functional theory. In… read more here.
Keywords: armchair; band gap; bilayer germanene; germanene nanoribbons ... See more keywords
Interface Magnetism in Topological Armchair/Cove-Edged Graphene Nanoribbons
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.0c04152
Abstract: Topological materials support robust quantum states. Recent experiments demonstrate the topologically induced spin-polarized Majorana-type end state and boundary state in S-type armchair graphene nanoribbons (A-GNRs). Here, we report the topologically induced spin-polarized interface states in… read more here.
Keywords: armchair; magnetism; graphene nanoribbons; cove edged ... See more keywords
Optical imaging and spectroscopy of atomically precise armchair graphene nanoribbons.
Sign Up to like & getrecommendations! Published in 2020 at "Nano letters"
DOI: 10.1021/acs.nanolett.9b04497
Abstract: We report the optical imaging and absorption spectroscopy on atomically precise armchair graphene nanoribbons (GNRs) on insulating fused silica substrates. This is achieved by controlling light polarization on macroscopically aligned GNRs, which greatly enhances the… read more here.
Keywords: armchair; atomically precise; spectroscopy atomically; optical imaging ... See more keywords
Arsenic Monolayers Formed by Zero-Dimensional Tetrahedral Clusters and One-Dimensional Armchair Nanochains.
Sign Up to like & getrecommendations! Published in 2022 at "ACS nano"
DOI: 10.1021/acsnano.2c07361
Abstract: One-dimensional (1D) arsenene nanostructures are predicted to host a variety of interesting physical properties including antiferromagnetic, semiconductor-semimetal transition and quantum spin Hall effect, which thus holds great promise for next-generation electronic and spintronic devices. Herein,… read more here.
Keywords: arsenic nanochains; surface; armchair arsenic; one dimensional ... See more keywords
On the Possible Nature of Armchair-Zigzag Structure Formation and Heat Capacity Decrease in MWCNTs
Sign Up to like & getrecommendations! Published in 2022 at "Materials"
DOI: 10.3390/ma15020518
Abstract: Structural disorder and temperature behavior of specific heat in multi walled carbon nanotubes (MWCNTs) have been investigated. The results of X-ray diffractometry, Raman spectroscopy, and transmission electron microscopy (TEM) images are analyzed. The thermodynamic theory… read more here.
Keywords: heat capacity; heat; structure formation; zigzag ... See more keywords