Related papers: Encapsulation-Induced Alignment in Endofullerenes
Injection locking can stabilize a source of radiation, leading to an efficient suppression of noise-induced spectral broadening and therefore, to a narrow spectrum. The technique is well established in laser physics, where a…
We study the dynamics of a pair of molecular ensembles trapped inside a superconducting resonator through which they are strongly coupled via a microwave field mode. We find that entanglement can be generated via "vacuum fluctuations" even…
In this study, we conducted a theoretical analysis of specific C36 and O@C36 Fullerene isomers, namely those with (D3h, C1, Cs, C2, D2) symmetries, in the gaseous phase using the DFT method at B3LYP/6-31G* level. We studied geometry…
C60 molecules form spontaneously during vaporization of carbon associated with intense heating and turbulence such as in electrical arcs or flames. Self-organization of fluctuations in the highly turbulent (chaotic) atomized carbon vapor…
Chemical synthesis remains a critical bottleneck in the discovery and manufacture of functional small molecules. AI-based synthesis planning models could be a potential remedy to find effective syntheses, and have made progress in recent…
A family of unusually stable boron cages was identified and examined using first-principles local density functional method. The structure of the fullerenes is similar to that of the B12 icosahedron and consists of six crossing…
Density functional theory is applied to study the mechanism of the Stone-Wales defect formation in pure and nitrogen-doped dodecahedral C$_{20}$ fullerenes. The molecular structures of initial and defected cages as well as transition states…
Buckminsterfullerene (C60) was recently confirmed to be the largest molecule identified in space. However, it remains unclear how, and where this molecule is formed. It is generally believed that C60 is formed from the build up of small…
Using molecular orbital theory, we introduce magnetism in pure-carbon, charge-neutral fullerene monolayers which are otherwise non-magnetic. By controlling either molecular or lattice symmetry, we can realise highly-tuneable magnetic…
Electron elastic-scattering phase shifts and cross sections along with the differential and total cross sections and polarization of low-frequency bremsstrahlung upon low-energy electron collision with endohedral fullerenes $A$@C$_{60}$ are…
We investigate the dynamics of a tagged particle embedded in a strongly interacting confined liquid enclosed between two opposing flat walls. Using the Zwanzig-Mori projection operator formalism we obtain an equation of motion for the…
We report the results of molecular dynamics simulations of the release of five species of noble gas atoms trapped inside a small cluster of fullerenes in the temperature range 4000K < T < 5000K. We find that larger noble gas atoms are…
We have demonstrated that the polarization of the fullerene shell considerably alters the polarization potential of an atom, stuffed inside a fullerene. This essentially affects the electron elastic scattering phases as well as…
High-index dielectrics can confine light into nano-scale leading to enhanced nonlinear response. However, increased momentum in these media can deteriorate the overlap between different harmonics which hinders efficient nonlinear…
We suggest an explanation of the recently observed discrepancy between the experimental and theoretical results on ionization of atoms, encapsulated into the fullerenes by photons with the energies of about 80-190eV. On the ground of…
We investigate the geometry, stability, electronic structure and optical properties of C24H12 coronenes encapsulated in a single-wall (19,0) carbon nanotube. By an adequate combination of advanced electronic-structure techniques, involving…
Inspired by the recent experiment of Hamsen et al. [Phys. Rev. Lett. 118, 133604 (2017)], which demonstrated two-photon blockade in a driven nonlinear system (composed of a harmonic cavity with a driven atom), we show that two-photon…
A systematic first-principles study within density functional theory on the geometrical structures and electronic properties of unconventional fullerene C64 and its derivatives C64X4 (X = H; F;Cl;Br) has been performed. By searching through…
We present experimental techniques and results related to the optimization and characterization of our nanofiber-based atom trap [Vetsch et al., Phys. Rev. Lett. 104, 203603 (2010)]. The atoms are confined in an optical lattice which is…
The screening properties of fullerene molecules are described by means of a continuum model which uses the electronic wavefunctions of planar graphite as a starting point. The long distance behavior of the system gives rise to a…