Theoretical design of an ultrafast supramolecular rotor composed of carbon nano-rings

Abstract

The design of molecular rotors that can rotate in ultrahigh speeds is important for the development of artificial molecular machines. Based on theoretical calculations, we demonstrate that two kinds of...

Molecular Dynamics Study of Collective Behavior of Carbon Nanotori in Columnar Phase

“…The maximum frequency of the 2π-rotation is observed for the first torus and is 19.9 GHz. Note that researchers using molecular dynamics methods also observed frequencies in the gigahertz range for nanorings [18] and fullerenes [19,20,23], which are in qualitative agreement with experimental data [21,22]. Oscillators based on nanotori in a nanotube showed frequencies in the megahertz and gigahertz ranges [16,17].…”

“…Nanotori can be used to transfer atoms and ions in the inner region [11], as well as to encapsulate atoms [12], molecular chains [13,14], and nanoparticles [15] into the inner cavity. Nanotori are capable of rotating in the megahertz and gigahertz frequency ranges [16,17], just like carbon nanorings [18] and fullerenes [19][20][21][22][23]. Due to the presence of these properties, nanotori have great prospects for use in modern nanoelectromechanical systems as a structural element.…”

Remarkable Size Effect on Photophysical and Nonlinear Optical Properties of All‐Carboatomic Rings, Cyclo[18]carbon and Its Analogues

“…Cyclo [18]carbon (C 18 ), a closed-loop polyyne of 18 sp-hybridized carbon atoms joined together, is one of the hottest molecule recently. Due to its unique molecular geometry and electronic structure, C 18 has quickly attracted extensive attentions from chemists after being generated and observed in condensed phase in 2019 1 and soon received wide investigations [2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18] . Our group has also made a series of theoretical studies on it, including aromaticity, optical properties, intermolecular interaction, vibrational spectra, and so on [19][20][21][22][23] .…”

Giant Switching Effect and Spintronic Transport Properties in Cyclo[18]carbon‐Based Molecular Devices

“…The successful preparation of C 18 has garnered significant interest in the study of its potential properties. [ 9–17 ] Currently, C 18 composed of 18 carbon atoms by sp‐hybridization has been demonstrated to exhibit ohmic and quasi Schottky features, as well as current limiting ability in molecular devices. [ 18 ] Furthermore, C 18 may display excellent conductivity in molecular devices owing to its extensive π electron delocalization.…”