Related papers: Superintermolecular orbitals in the C$_{60}$/penta…
Considering the photoionization of Ar@C60 and Kr@C60 endofullerenes, the decay of C60 innershell excitations through the outershell continuum of the confined atom via the inter-Coulombic decay (ICD) pathway is detailed. Excitations to…
The circumstellar envelope of the hypergiant star IRC+10420 has been traced as far out in SiO J=2-1 as in CO J = 1-0 and CO J = 2-1, in dramatic contrast with the centrally condensed (thermal) SiO- but extended CO-emitting envelopes of…
Charge transport in organic semiconductors is limited by dynamical disorder. Design rules for new high-mobility materials have therefore focused on limiting its two foundations: structural fluctuations and the transfer integral gradient.…
In this paper, we examine the properties of spin-polarized interfaces consisting of single-molecule magnet bis(cyclopentadienyl)cobalt(II) (cobaltocene) and two-dimensional magnetic materials, semiconducting CrI$_3$ and metallic…
We present the first census of the interstellar Complex Organic Molecules (iCOMs) in the low-mass Class I protostar SVS13-A, obtained by analysing data from the IRAM-30m Large Project ASAI (Astrochemical Surveys At IRAM). They consist of an…
The broad use of organic semiconductors for optoelectronic applications relies on quantitative understanding and control of their spectroscopic properties. Of paramount importance are the transport gap - the difference between ionization…
This work reports an original method for the fabrication of Metal-Isulator-Semiconductor (MIS) structures with silicon nanocrystals (Si NCs) based active layers embedded in the insulating SiO 2 oxide, for high performance solar cell and…
The electronic structure of pentacene decorated with dipole groups (d-pentacene) and adsorbed onto a graphene substrate has been studied within the density functional theory. Three reference configurations have been considered, namely the…
Hubble Space Telescope observations of Uranus- and Neptune-crossing object (65489) Ceto/Phorcys (provisionally designated 2003 FX128) reveal it to be a close binary system. The mutual orbit has a period of 9.554 +/- 0.011 days and a…
The abundance, distribution and inner structure of satellites of galaxy clusters can be sensitive probes of the properties of dark matter. We run 30 cosmological zoom-in simulations with self-interacting dark matter (SIDM), with a…
Interstellar complex organic molecules (COMs) in solar-like young stellar objects (YSOs), particularly within protostellar disks, are of significant interest due to their potential connection to prebiotic chemistry in emerging planetary…
Motivated by the recent achievements in manipulation of C60 molecules in STM experiments, we study theoretically the structure and electronic properties of a C60 molecule in an STM-tunneljunction with a magnetic tip and magnetic adatom on a…
We present analysis of the light curves (LCs) of 77 hydrogen-poor superluminous supernovae (SLSNe-I) discovered during the Zwicky Transient Facility Phase-I operation. We find that the majority (67\%) of the sample can be fit equally well…
The recursion and path-integral methods are applied to analytically study the electronic structure of a neutral $C_{60}$ molecule. We employ a tight-binding Hamiltonian which considers both the $s$ and $p$ valence electrons of carbon. From…
We study the structure of Milky Way (MW)- and cluster-sized halos in a Lambda Cold Dark Matter (CDM) cosmology with self-interacting (SI) dark particles. The cross section per unit of particle mass has the form sigma = sig_0(1/v_100)^alpha,…
Spatial solitons can exist in various kinds of nonlinear optical resonators with and without amplification. In the past years different types of these localized structures such as vortices, bright, dark solitons and phase solitons have been…
We have investigated the electronic properties of a C_60 molecule in between carbon nanotube leads. This problem has been tackled within a quantum chemical treatment utilizing a density functional theory-based LCAO approach combined with…
We present high angular resolution 1.3 mm continuum, methyl cyanide molecular line, and 7 mm continuum observations made with the Submillimeter Array and the Very Large Array, toward the most highly obscured and southern part of the massive…
Recently, superconductivity was discovered at very low densities in slightly misaligned graphene multilayers. Surprisingly, despite extremely low electronic density (about $10^{-4}$ electrons per unit cell), these systems realize…
Near Edge X-ray Absorption, Valence and Core-level Photoemission and Density Functional Theory calculations are used to study molecular levels of tetracyano-2,3,5,6-tetrafluoroquinodimethane (F$_4$TCNQ) deposited on Ag(111) and…