Related papers: Interfaces of Propylene Carbonate
We analyze the inelastic electron-electron scattering in undoped graphene within the Keldysh diagrammatic approach. We demonstrate that finite temperature strongly affects the screening properties of graphene, which, in turn, influences the…
We present a first principles-quality potential energy surface (PES) describing the inter-atomic forces for hydrogen atoms interacting with free-standing graphene. The PES is a high-dimensional neural network potential that has been…
Isolated, atomically thin conducting membranes of graphite, called graphene, have recently been the subject of intense research with the hope that practical applications in fields ranging from electronics to energy science will emerge.…
Four results associated with the diffuse-interface model (DIM) for contact lines are reported in this paper. First, a boundary condition is derived, which states that the fluid near a solid wall must have a certain density $\rho_{0}$…
Precise characterization of the graphene/water interface has been hindered by experimental inconsistencies and limited molecular-level access to interfacial structures. In this work, we present a novel integrated computational approach that…
When a volatile drop impacts on a superheated solid, air drainage and vapor generation conspire to create an intermediate gas layer that delays or even prevents contact between the liquid and the solid. In this article, we use high-speed…
Graphene supported on a substrate in contact with water underpins a wide range of processes and technologies, yet its wettability remains controversial. Understanding how substrate charges and graphene's properties influence water…
The phase-field-crystal model is used to access the structure and thermodynamics of interfaces between two coexisting liquid crystalline phases in two spatial dimensions. Depending on the model parameters there is a variety of possible…
Modeling membrane interactions with arbitrarily shaped colloidal particles, such as environmental micro- and nanoplastics, at the cell scale remains particularly challenging, owing to the complexity of particle geometries and the need to…
A novel thermodynamically consistent diffuse interface model is derived for compressible electrolytes with phase transitions. The fluid mixtures may consist of N constituents with the phases liquid and vapor, where both phases may coexist.…
Deposition of water on aerosol particles contributes to ice cloud formation in the atmosphere with implications for the water cycle and climate on Earth. The heterogeneous ice nucleation process is influenced by physico-chemical properties…
Graphene is a promising candidate for future electronic applications. Manufacturing graphene-based electronic devices typically requires graphene transfer from its growth substrate to another desired substrate. This key step for device…
Detailed semi-empirical interaction potential calculations are performed to determine the potential energy surface experienced by the molecules CO, HCN, H2O and H2CO, when adsorbed on the basal plane (0001) of graphite at low temperature.…
We present an electrochemical route for the integration of graphene with light sensitive copper-based alloys used in optoelectronic applications. Graphene grown using chemical vapor deposition (CVD) transferred to glass is found to be a…
Due to the slow dynamics of the wetting ridge, it is challenging to predict the wetting morphology of liquid drops on thin lubricant coated surfaces. It is hypothesized that when a drop sinks on a lubricated surface, quasi-static wetting…
The structure of a physisorbed sub-monolayer of 1,2-bis(4-pyridyl)ethylene (bpe) on epitaxial graphene is investigated by Low-Energy Electron Diffraction and Scanning Tunneling Microscopy. Additionally, non-equilibrium heat-transfer between…
Recent experimental studies have observed a surprisingly wide range of strengths in polycrystalline graphene. Previous computational investigations of graphene tilt boundaries have highlighted the role of interfacial topology in determining…
We use molecular dynamics simulations to study the thermodynamics and kinetics of alanine dipeptide isomerization at the air-water interface. Thermodynamically, we find an affinity of the dipeptide to the interface. This affinity arises…
Complex permittivity studies on glassy poly(vinyl alcohol)/poly(vinyl pyrrolidone) (1/1) at proper pressure-temperature condition, provide the activation volume and energy values for both dc conductivity and \b{eta}-relaxation. The…
We investigated numerically the high-temperature/high-pressure phase diagram of Xenon as modelled through the exp-6 interaction potential, which is thought to provide a reliable description of the thermal behaviour of rare gases under…