相关论文: Interaction between the small gas molecules and th…
Two-dimensional (2D) WS2 films were deposited on SiO2 wafers, and the related interfacial properties were investigated by high-resolution x-ray photoelectron spectroscopy (XPS) and first-principles calculations. Using the direct (indirect)…
Whereas collisions between atoms and molecules are largely understood, collisions between two molecules have proven much harder to study. In both experiment and theory, our ability to determine quantum state-resolved bimolecular cross…
A simple method to control molecular translation with a chemical reaction is demonstrated. Slow NO molecules have been produced by partially canceling the molecular beam velocity of NO$_2$ with the recoil velocity of the NO photofragment.…
Atomic monolayers represent a novel class of materials to study localized and free excitons in two dimensions and to engineer optoelectronic devices based on their significant optical response. Here, we investigate the role of the substrate…
Previous studies of haze formation in the atmosphere of the Early Earth have focused on N$_{2}$/CO$_{2}$/CH$_{4}$ atmospheres. Here, we experimentally investigate the effect of O$_{2}$ on the formation and composition of aerosols to improve…
We present the results of 12CO(J = 1-0) mapping observations toward four interacting galaxies in early and mid stages of the interaction to understand the behavior of molecular gas in galaxy-galaxy interaction. The observations were carried…
Planet atmosphere and hydrosphere compositions are fundamentally set by accretion of volatiles, and therefore by the division of volatiles between gas and solids in planet-forming disks. For hyper-volatiles such as CO, this division is…
%context More gas is inferred to be present in molecular cloud complexes than can be accounted for by HI and CO emission, a phenomenon known as dark neutral medium (DNM) or CO-dark gas for the molecules. %aims To see if molecular gas can be…
In this study, we use DFT calculations to investigate the electronic and structural properties of MoX$_2$ (X = S, Se, Te) monolayers doped with substitutional Sb atoms, with a central focus on the Sb(Mo) substitution. In MoS$_2$, we observe…
The advantage of MoS2, compared with graphene, is the direct growth on various oxide substrates by chemical vapor deposition (CVD) without utilizing catalytic metal substrates, which facilitates practical applications for electronics. The…
A comprehensive phase diagram of lowest-energy structures and compositions of the rutile TiO_2(110) surface in equilibrium with a surrounding gas phase at finite temperatures and pressures has been determined using density functional theory…
First principles calculations of magnetic and electronic properties of VSe2 describing the transition between two structural phases(H,T) were performed. Results of the calculations evidence rather low energy barrier ( 0.60 eV for monolayer)…
High quality WSe2 films have been grown on bilayer graphene (BLG) with layer-by-layer control of thickness using molecular beam epitaxy (MBE). The combination of angle-resolved photoemission (ARPES), scanning tunneling…
Geometrical confinement effect in exfoliated sheets of layered materials leads to significant evolution of energy dispersion with decreasing layer thickness. Molybdenum disulphide (MoS2) was recently found to exhibit indirect to direct gap…
We model the temperature and chemical structure of molecular clouds as a function of depth into the cloud, assuming a cloud of constant density n illuminated by an external FUV (6 eV < E < 13.6 eV) flux G_0 (scaling factor in multiples of…
We studied the role of the tensor interaction in He isotopes systematically on the basis of the tensor-optimized shell model (TOSM). We use a bare nucleon-nucleon interaction AV8 obtained from nucleon-nucleon scattering data. The…
The presence of elemental vacancies in materials is inevitable according to statistical thermodynamics, which will decide the chemical and physical properties of the investigated system. However, the controlled manipulation of vacancies for…
We present a detailed analysis on the hopping between monolayer CuO$_2$ and bulk CuO$_2$ plane in the Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ substrate. With a two-band model, we demonstrate that the nodeless gap can only exist when the hole…
The thermodynamic properties of gases have been understood primarily through phase diagrams of bulk gases. However, observations of gases confined in a nanometer space have posed a challenge to the principles of classical thermodynamics.…
Ni-doped MoS$_2$ is a layered material with useful tribological, optoelectronic, and catalytic properties. Experiment and theory on doped MoS$_2$ has focused mostly on monolayers or finite particles: theoretical studies of bulk Ni-doped…