Related papers: Molecular size effects on diffraction resonances i…
Positronium atoms (Ps) are widely used as a probe to characterize voids or vacancies in non-metallic materials, where Ps annihilation lifetime is strongly modified by pickoff, depending on the size of the trapping cavity and on the…
Fullerenes, including \ce{C60} and \ce{C70}, have been detected in various astronomical environments. Understanding how their structures evolve over time is essential for gaining insights into their life cycle and making further…
Scattering of positronium (Ps) by helium atom has been investigated in a three-Ps-state coupled-channel model including Ps(1s,2s,2p) states using a recently proposed time-reversal-symmetric regularized electron-exchange model potential.…
We determine effective collisional radii of positronium (Ps) by considering Ps states in hard-wall spherical cavities. $B$-spline basis sets of electron and positron states inside the cavity are used to construct the states of Ps. Accurate…
Lead-halide perovskite (LHP) semiconductors are emergent optoelectronic materials with outstanding transport properties which are not yet fully understood. We find signatures of large polaron formation in the electronic structure of the…
The electron-phonon and Coulomb interactions inC$_{60}$, and larger fullerene spheres are analyzed. The coupling between electrons and intramolecular vibrations give corrections $\sim 1 - 10$ meV to the electronic energies for C$_{60}$, and…
We demonstrate for the first time that the effect of fullerene shell upon photoionization of the "caged" atom in an endohedral can result in formation of Giant Endohedral Resonances or GER. This is illustrated by the concrete case of Xe@C60…
We measure the electron spin resonance spectrum of the endohedral fullerene molecule $^{15}\mathrm{N@C}_{60}$ at pressures ranging from atmospheric pressure to 0.25 GPa, and find that the hyperfine coupling increases linearly with pressure.…
The processing and material properties of commercial organic semiconductors, for e.g. fullerenes is largely controlled by their precise arrangements, specially intermolecular symmetries, distances and orientations, more specifically,…
We study the electronic states of giant single-shell and the recently discovered nested multi-shell carbon fullerenes within the tight-binding approximation. We use two different approaches, one based on iterations and the other on…
We provide a theory for the effects of polarons and phonons in mediating and suppressing the quantum tunneling of electrons into single molecules of conducting polymers, motivated by experiments on molecular quantum dots. The effects of…
Fragmentation of ground state ortho Positronium (Ps) in collision with Li ion (Li+) is studied in the framework of post collisional Coulomb distorted eikonal approximation (CDEA) for the target elastic case . The present model takes account…
This article presents an overview of current understanding of the interaction of low-energy positrons with molecules with emphasis on resonances, positron attachment and annihilation. Annihilation rates measured as a function of positron…
Shapes and energies of icosahedral fullerenes are studied on an atomically detailed level. The numerical results based on the effective binary carbon-carbon potential are related to the theory of elasticity of crystalline membranes with…
In this paper, motivated by the experimental evidence of rapidly rotating $C_{60}$ molecules in fullerite, we study the low-energy electronic states of rotating fullerene within a continuum model. In this model, the low-energy spectrum is…
Recent experimental advances in Positronium (Ps) physics have made it possible to produce dense Ps ensembles in which Ps-Ps interactions may occur, leading to the production of Ps$_2$ molecules and paving the way to the realization of a Ps…
A continuum elastic model of fullerenes is presented by utilizing the analogy between the closed carbon cages and elastic shells. We derive expressions for the curvature related strain energies Ep of the pentagonal protrusions. We propose…
The fullerene C$_{60}$, one of the largest molecules identified in the interstellar medium (ISM), has been proposed to form top-down through the photo-chemical processing of large (more than 60 C-atoms) polycyclic aromatic hydrocarbon (PAH)…
We discuss the influence of a single or double fullerenes shell upon photoionization and vacancy decay of an atom, stuffed inside the fullerenes construction. The main manifestations of this influence are additional structures in the…
The long standing mystery of smallness of diffractive dissociation of hadrons to large effective masses (the Pomeron-proton cross section is only 2 mb) witnesses that the gluonic clouds of valence quarks are so small (r_0=0.3fm) that soft…