相关论文: Monolayer Characteristics of Pyrene Mixed with Ste…
Monolayer lateral heterostructure of graphene and hexagonal boron nitride (h-BNC) has attracted a growing attention mainly due to its tunable band-gap character and unique physical properties at interface. Hereby, we reported the first-time…
We use molecular dynamics (MD) to simulate an unstable homogeneous mixture of binary fluids (AB), confined in a slit pore of width $D$. The pore walls are assumed to be flat and structureless, and attract one component of the mixture (A)…
Carbon monoxide and nitrogen are among the potentially interesting high-energy density materials. However, in spite of the physical similarities of the molecules, they behave very differently at high pressures. Using density functional…
A phase-field model for two-phase immiscible, incompressible porous media flow with surface tension effects is considered. The pore-scale model consists of a strongly coupled system of Stokes-Cahn-Hilliard equations. The fluids are…
We review all symmetry-allowed spin-singlet and spin-triplet superconducting (SC) order parameters in graphene ($s$-wave, $d$-wave, $p$-wave, and $f$-wave) generated by generic onsite, nearest-neighbor (NN), and next-to-nearest-neighbor…
By combining angle-resolved photoemission spectroscopy and scanning tunneling microscopy we reveal the structural and electronic properties of multilayer graphene on Ru(0001). We prove that large ethylene exposure allows to synthesize two…
We report on the spatio-temporal dynamics of the interface in shear-banding flow of a wormlike micellar system (cetyltrimethylammonium bromide and sodium nitrate in water) during a start-up experiment. Using the scattering properties of the…
We consider the phase separation of binary fluids in contact with a surface which is preferentially wetted by one of the components of the mixture. We review the results available for this problem and present new numerical results obtained…
Bulk amorphous materials have been studied extensively and are widely used, yet their atomic arrangement remains an open issue. Although they are generally believed to be Zachariasen continuous random networks, recent experimental evidence…
The use of ultra-thin, i.e., monolayer films plays an important role for the emerging field of nano-fluidics. Since the dynamics of such films is governed by the interplay between substrate-fluid and fluid-fluid interactions, the transport…
The structural stability and electronic states of GaSe monolayer with trigonal-antiprismatic (AP) structure, which is a recently discovered new polymorph, were studied by first-principles calculations. The AP phase GaSe monolayer was found…
Surface-induced liquid crystalline phase transitions evoke fundamental interest and can provide deeper insight into the nature of low-dimensional phase transitions. Board-like conjugated polymers are particularly interesting because they…
Monolayer tinene presents rich absorption spectra in electric fields. There are three kinds of special structures, namely shoulders, logarithmically symmetric peaks and asymmetric peaks in the square-root form, corresponding to the optical…
We present a detailed study of a monolayer film of 3,4,9,10-perylene-tetracarboxylic acid dianhydride (PTCDA) on Ag(111) (the PTCDA/Ag(111) system). The study is done within density functional theory with the use of the periodic slab model.…
The mobility of graphene is very high because the quantum Hall effects can be observed even at room temperature. Graphene has the potential of the material for novel devices because of this high mobility. But the energy gap of graphene is…
We present an ab initio study of the structural and electronic properties of styrene molecules adsorbed on the dimerized Si(100) surface at different coverages, ranging from the single-molecule to the full monolayer. The adsorption…
The nonlinear optics and optical limiting properties of materials based on multifunctional fullerenol and poly(styrene-co-4-vinylpyridine) matrix were studied using 7 ns pulses of nanosecond laser operating at 532 nm wavelength. The…
We review recent simulation studies of interfaces between immiscible homopolymer phases. Special emphasis is given to the presentation of efficient simulation techniques and powerful methods of data analysis, such as the analysis of…
Modeling the atomic structure of amorphous materials has long been a critical challenge in materials science. Recent advances in monolayer amorphous materials enable direct observation of their atomic structures, paving the way for a better…
We present the viability of obtaining the particle size and surface coverage in a monolayer of polystyrene particles adsorbed on a glass surface from optical coherent reflectance data around the critical angle in an internal reflection…