Related papers: Room temperature propylene dehydrogenation and lin…
Two defect particles that couple to a harmonic chain, acting as common reservoir, can become entangled even when the two defects do not directly interact and the harmonic chain is effectively a thermal reservoir for each individual defect.…
We consider a quantum system consisting of a regular chain of elementary subsystems with nearest neighbor interactions and assume that the total system is in a canonical state with temperature $T$. We analyze under what condition the state…
Diatomic nitrogen is an archetypal molecular system known for its exceptional stability and complex behavior at high pressures and temperatures, including rich solid polymorphism, formation of energetic states, and an insulator-to-metal…
We present an ab initio investigation of the interaction between methane, its dehydrogenated forms and the cerium oxide surface. In particular, the stoichiometric CeO2(111) surface and the one with oxygen vacancies are considered. We study…
Monte Carlo (MC) simulations have been carried out to study the adsorption on square and triangular lattices of particles with two bonding sites that, by decreasing temperature or increasing density, polymerize reversibly into chains with a…
Neutral atoms can be trapped and manipulated with surface mounted microscopic current carrying and charged structures. We present a lithographic fabrication process for such atom chips based on evaporated metal films. The size limit of this…
The structural aspects of polyacrylamide thin films annealed at degradation threshold temperature have been studied as a function of annealing time using in situ X-ray reflectivity technique in vacuum. We observe significant decrease of…
We investigate the properties of charmonia in a thermal medium, showing that with increasing temperature the decay widths of these mesons behave in a non-trivial way. Employing a potential model with interaction potential extracted from…
The local adsorption geometries of the (2x2)-N and the (sqrt(3)x sqrt(3))R30^o -N phases on the Ru(0001) surface are determined by analyzing low-energy electron diffraction (LEED) intensity data. For both phases, nitrogen occupies the…
We study numerically nonlinear dynamics of several types of molecular systems composed of hydrogen-bonded chains placed inside carbon nanotubes with open edges. We demonstrate that carbon nanotubes provide a stabilization mechanism for…
We study the interaction of atomic and molecular hydrogen with a surface of tholin, a man-made polymer considered to be an analogue of aerosol particles present in Titan's atmosphere, using thermal programmed desorption at low temperatures…
A long-standing controversy related to the dimer pattern formed by S atoms in methanethiol ($CH_{3}SH$) on the Au(111) surface has been resolved using density functional theory. For the first time, dimerization of methanethiol adsorbates on…
Dynamics of adsorption and desorption of (4S)-N on amorphous solid water are analyzed using molecular dynamics simulations. The underlying potential energy surface was provided by machine-learned interatomic potentials. Binding energies…
Complex organic molecules, such as propylene (CH3CHCH2), are detected in molecular clouds (such as TMC1) with high fractional abundances (~2.10^{-9}, relative to hydrogen) that cannot be explained by gas-phase chemical reactions under…
In this work we show, that atomic metallic hydrogen (AMH) is formed inside of sintered oxide-nickel electrodes of nickel-cadmium battery over a long period of electrochemical hydrogenation (more than five years). It was established that…
The thermal desorption of ammonia (NH$_3$) from single crystal forsterite (010) has been investigated using temperature-programmed desorption. The effect of defects on the desorption process has been probed by the use of a rough cut…
Lipid structures exhibit complex and highly dynamic lateral structure; and changes in lipid density and fluidity are believed to play an essential role in membrane targeting and function. The dynamic structure of liquids on the molecular…
The 21 cm hyperfine transition of the atomic hydrogen (HI) in ground state is a powerful probe of the neutral gas content of the universe. This radio frequency transition has been used routinely for decades to observe, both in emission and…
Biphenylene nanotubes (BPNNTs) represent a novel class of carbon-based nanomaterials, constructed by rolling a biphenylene network (BPN) monolayer into a one-dimensional tubular structure. In this study, the thermal transport properties of…
1H polarization of 61% was achieved by Dynamic Nuclear Polarization using photoexcited triplet electrons (Triplet-DNP) at room temperature and in 0.64 T. We introduced dibenz[a, h]anthracene as a new host molecule of the polarizing agent,…