相关论文: Superintermolecular orbitals in the C$_{60}$/penta…
Superatomic molecular orbitals (SAMO) in C60 are ideal building blocks for functional nanostructures. However, imaging them spatially in the gas phase has been unsuccessful. It is found experimentally that if C60 is excited by an 800-nm…
The discovery of amino acids in meteorites and the detection of glycine in samples returned from a comet to Earth suggest that the interstellar chemistry is capable of producing such complex organic molecules. Our goal is to investigate the…
With angle resolved photoemission experiments and \emph{ab-initio} electronic structure calculations, the pentacene monolayers on Ag(110) and Cu(110) are compared and contrasted allowing the molecular orientation and an unambiguous…
The full monolayer of pentacene adsorbed on rutile TiO$_2$(110) provides an intriguing model to study charge-transfer excitations where the optically excited electrons and holes reside on different sides of the internal interface between…
We present ab initio calculations of the quasiparticle decay times in a Buckminsterfullerene based on the many-body perturbation theory. A particularly lucid representation arises when the broadening of the quasiparticle states is plotted…
The structural and electronic properties of a single pentacene molecule and a pentacene molecular crystal, an organic semiconductor, are examined by a first-principles method based on the generalized gradient approximation of density…
We report the detection during the ALMA Cycle 0 of SiS rotational lines in high-vibrational states as well as SiO and SiC$_2$ lines in their ground vibrational state, towards IRC+10216. The spatial distribution of these molecules shows…
The largest known molecule in space, C60 , has been detected in its neutral and cationic form through its vibrational, UV-driven fluorescence emission spectrum and its electronic absorption spectrum, respectively. The detection of several…
We present an improved way for imaging the local density of states with a scanning tunneling microscope, which consists in mapping the surface topography while keeping the differential conductance (d$I$/d$V$) constant. When archetypical…
Small-area molecular structures (SAMS) resembling those clumpuscules, proposed by Pfenniger and Combes (1994) as candidate for baryonic dark matter, have recently been detected (Heithausen 2002, 2004) in an area where the shielding is too…
Compact symmetric objects (CSOs) are a unique class of jetted active galactic nuclei (AGN) defined by sub-kpc radio emission, showing radio structure on both sides of the central engine. CSOs tend to exhibit little to no relativistic…
Recent direct experimental observation of multiple highly-dispersive C$_{60}$ valence bands has allowed for a detailed analysis of the unique photoemission traits of these features through photon energy- and polarization-dependent…
Development of power efficient spintronics devices has been the compelling need in the post-CMOS technology era. The effective tunability of spin-orbit-coupling (SOC) in bulk and at the interfaces of hybrid materials stacking is a…
The molecule-like structure of the C isotopes (A=12, 14, 16) is investigated using a microscopic $\alpha+\alpha+\alpha+n+n+\cdot \cdot \cdot$ model. The valence neutrons are classified based on the molecular-orbit (MO) model, and both…
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…
Electrical and thermal transport properties of C60 molecules are investigated with density-functional-theory based calculations. These calculations suggest that the optimum contact geometry for an electrode terminated with a single-Au atom…
To investigate the interstellar medium (ISM) and Galactic cosmic rays (CRs) in the solar neighborhood, we analyzed ${\gamma}$-ray data by Fermi Large Area Telescope (LAT) for five nearby molecular cloud regions. Our data includes the…
Group IV heavy elements atomic layers are expected to show an interesting physical properties due to their large spin-orbit coupling (SOC). Using density functional theory (DFT) calculations with/without SOC we investigate the variation of…
The extended SSH model and Bogoliubov-de Gennes(BdeG) formalism are applied to investigate the electronic properties and stable lattice configurations of C$_{36}$. We focus the problem on the molecule's unusual $D_{6h}$ symmetry. The…
The primordial ingredient of cuprate superconductivity is the CuO2 unit cell. Here, theoretical attention usually concentrates on the intra-atom Coulombic interactions dominating the 3d^9 and 3d^10 configurations of each copper ion.…