相关论文: Understanding of different types of rolling motion…
One monolayer of C60 on one monolayer of hexagonal boron nitride on nickel is investigated by photoemission. Between 150 and 250 K the work function decreases and the binding energy of the highest occupied molecular orbital (HOMO) increases…
It is shown that the valency electrons in rapidly rotating C_{60} molecules acquire an Aharonov-Carmi (A-C) phase shift, which is proportional to the molecular angular velocity flux enclosed by the matter wave of valency electrons on the…
The dynamics of a spherical chemically-powered synthetic colloidal motor that operates by a self-diffusiophoretic mechanism and has a catalytic domain of arbitrary shape is studied using both continuum theory and particle-based simulations.…
A deformable body can rotate even with no angular momentum, simply by changing its shape. A good example is a falling cat, how it maneuvers in air to land on its feet. Here a first principles molecular level example of the phenomenon is…
We present a detailed analysis of the molecular kinetics of CHCl$_3$ in a range of temperatures covering the solid and liquid phases. Using nuclear quadrupolar resonance we determine the relaxation times for the molecular rotations in solid…
The orientation of individual C60 molecules adsorbed on Cu(100) is reversibly switched when the tip of a scanning tunneling microscope is approached to contact the molecule. The probability of switching rises sharply upon displacing the tip…
We investigate rotational state changes in a single collision of diatomic molecular ions, polar or apolar, with an atomic ion. Rotational state changes may occur since the angular degree of freedom of the molecular ions interacts with the…
In a low-temperature study with a scanning tunneling microscope (STM), the irreducible lateral motion of a CO molecule adsorbed on a Si(001) surface showed a hyperlinear dependence on the tunneling current. This dependence implies that the…
The rapidly rotational motion of C$_{60}$ molecules provides us with an ingenious way to test Mashhoon's spin-rotation coupling. The spin-rotation coupling of electrons in the rotating C$_{60}$ molecule is considered in the present letter.…
To describe vibrationally mediated configuration changes of adsorbates on surfaces we have developed a new theory to calculate both reaction rates and pathways. The method uses the T-matrix to describe excitations of vibrational states by…
Roaming has been proposed as a possible mechanism contributing to molecular dissociation in which the fragments can move around one another at relatively large intermolecular distances before separating entirely. While roaming, there is…
An active chiral rotor is a spherical object that can generate chiral flows in a fluid by rotating about an axis. For example, if the flow around the upper hemisphere of the chiral rotor is in a clockwise direction, then the flow in the…
We study the passage of proton (H$^{+}$) through different five membered aromatic ring systems by considering one dimensional motion of the proton along a line perpendicular to the plane of the ring. The potential for the motion of…
Sympathetic cooling of molecular ions through the Coulomb interaction with laser-cooled atomic ions is an efficient tool to prepare translationally cold molecules without, ideally, affecting the internal state of the molecular ions.…
In this letter, we investigate the nonrelativistic quantum motion of a charged particle within a rotating frame, taking into account the Aharonov-Bohm (AB) effect and a uniform magnetic field. Our analysis entails the derivation of the…
The binding energy of A3C60, a conductor, is described well by an ionic solid type calculation. This succeeds because there is little overlap between molecular wave functions on neighbouring sites, so that electrons are practically…
We study the motion of C60 fullerene molecules (buckyballs) and short-length carbon nanotubes on graphene nanoribbons. We demonstrate that the nanoribbon edge creates an effective potential that keeps the carbon structures on the surface.…
Starting from a multipole expansion of intra- molecular Coulomb interactions, we present configuration interaction calculations of the molecular energy terms of the hole configurations hu^m, m=2-5, of C60^{m+} cations, of the electron…
Although C$_{60}$ is a molecular crystal with a bandgap E$_g$ of ~2.5 eV, we show that E$_g$ is strongly affected by injected charge. In sharp contrast to the Coulomb blockade typical of quantum dots, E$_g$ is {\it reduced} by the Coulomb…
Exploring the limits of the microscopic reversibility principle, we investigated the interplay between thermal and electron tunneling excitations for the unidirectional rotation of a molecule-rotor on the Au(111) surface. We identified a…