Related papers: How does ethane wet different substrates?
Adsorption of hydrogen atoms on a single graphite sheet (graphene) has been investigated by first-principles electronic structure means, employing plane-wave based, periodic density functional theory. A reasonably large 5x5 surface unit…
We study, theoretically and experimentally, electromagnetically induced transparency (EIT) in two different solid-state systems. Unlike many implementations in homogeneously broadened media, these systems exhibit inhomogeneous broadening of…
The dissociative adsorption of methane on variously oxidized Pd, Pt and Pd-Pt surfaces is investigated using density-functional theory, as a step towards understanding the combustion of methane on these materials. For Pd-Pt alloys, models…
It is known from both experiments and molecular dynamics simulations that chemically patterning a solid surface has an effect on the flow of an adjacent liquid. This fact is in stark contrast with predictions of classical fluid mechanics…
Graphane is obtained by perfectly hydrogenating graphene. There exists an intermediate material, partially hydrogenated graphene (which we call \textit{hydrographene}), interpolating from pure graphene to pure graphane. It has various…
At low temperatures (10 K), hydrogen atoms can diffuse quickly on grain ice mantles and frequently encounter hydrogen molecules, which cover a notable fraction of grain surface. The desorption energy of H atoms on H2 substrates is much less…
We have performed first-principles studies on adsorption patterns of hydrogen adatoms on uniaxially strained graphene. Our simulation reveals that the adsorption energy of adatoms are sensitive to the strain. Hydrogen adatoms on zigzag…
Graphene is an intriguing material with properties that are distinct from those of other graphitic systems. The first samples of pristine graphene were obtained by peeling off and epitaxial growth. Recently, the chemical reduction of…
The temperature-induced shift of the Raman G line in epitaxial graphene on SiC and Ni surfaces, as well as in graphene supported on SiO2, is investigated with Raman spectroscopy. The thermal shift rate of epitaxial graphene on 6H-SiC(0001)…
We observe variations on the surface potential of graphite samples that we attribute to the adsorption physisorption of tetracene isomers.
Reversible control of surface wettability has wide applications in lab-on-chip systems, tunable optical lenses, and microfluidic tools. Using a graphene sheet as a sample material and molecular dynamic (MD) simulations, we demonstrate that…
We investigate the swelling dynamics driven by solvent absorption in a hydrogel sphere immersed in a solvent bath, through an accurate computational model and numerical study. We extensively describe the transient process from dry to wet…
Molecules adsorbing on metal surfaces form a variety of different surface polymorphs. How strongly this polymorphism affects interface properties is a priori unknown. In this work we investigate how strongly the surface polymorphism…
Graphene-metal interface as one of the interesting graphene-based objects attracts much attention from both application and fundamental science points of view. This paper gives a timely review of the recent experimental works on the growth…
The characterization of the wetting on superhydrophobic surfaces is rather complex. Usual contact angle experiments are difficult to perform and the lateral movement of droplets as well as the pinning at point defects on the surface can…
Experimental methods allow the shape and chemical composition of solid surfaces to be controlled at a mesoscopic level. Exposing such structured substrates to a gas close to coexistence with its liquid can produce quite distinct adsorption…
We have studied the pressure and temperature dependence of solubility of nitrogen in methane and ethane using vapor-liquid equilibrium simulations of binary mixtures of nitrogen in methane and ethane for a range of pressures between 1.5 atm…
A $2D$ model describing depinning of an interface from a rough, self-affine substrate, is studied by transfer matrix methods. The phase diagram is determined for several values of the roughness exponent, $\zeta_S$, of the attractive wall.…
Reflectance and transmittance of graphene in the optical region are analyzed as a function of frequency, temperature, and carrier density. We show that the optical graphene properties are determined by the direct interband electron…
We develop and harness a phase field simulation method to study liquid filling on grooved surfaces. We consider both short-range and long-range liquid-solid interactions, with the latter including purely attractive and repulsive…