Related papers: Adsorption of para-Hydrogen on Krypton pre-plated …
We have studied the ground-state properties of para-hydrogen in one dimension and in quasi-one-dimensional configurations using the path integral ground state Monte Carlo method. This method produces zero-temperature exact results for a…
We systematically investigate the emergence of electron crystal phases in rhombohedral multilayer graphene using comprehensive self-consistent Hartree Fock calculations combined with \textit{ab initio} tight binding model. As the carrier…
Using an interface displacement model we calculate the shapes of thin liquidlike films adsorbed on flat substrates containing a chemical stripe. We determine the entire phase diagram of morphological phase transitions in these films as…
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…
Epitaxial growth of graphene on transition metal substrates is an important route for obtaining large scale graphene. However, the interaction between graphene and the substrate often leads to multiple orientations, distorted graphene band…
Hydrogen as a fuel can be stored safely with high volumetric density in metals. It can, however, also be detrimental to metals causing embrittlement. Understanding fundamental behavior of hydrogen at atomic scale is key to improve the…
Adsorption in nanoporous materials is one strategy that can be used to store hydrogen at conditions of temperature and pressure that are economically viable. Adsorption capacity of nanoporous materials depends on surface area which can be…
Path-integral Monte Carlo calculations have been performed to study the $^4$He adsorption on $\gamma$-graphyne, a planar network of benzene rings connected by acetylene bonds. Assuming the $^4$He-substrate interaction described by a…
We present the results of molecular dynamics (MD) studies of hexane physisorbed onto graphite for eight coverages in the range $0.875 \le \rho \le 1.05$ (in units of monolayers). At low temperatures the adsorbate molecules form a uniaxially…
A dielectric multilayer platform has been investigated as a foundation for two-dimensional optics. In this paper, we present, to the best of our knowledge, the first experimental demonstration of absorption of Bloch surface waves in the…
Uniform, mostly single-layer graphene with enhanced stability is demonstrated over Co film. The polycrystalline Co film deposited on a SiO2/Si substrate gives a continuous graphene layer that is easily transferred without the aid of any…
We introduce a novel method that combines the accuracy of Quantum Monte Carlo simulations with ab-initio Molecular Dynamics, in the spirit of Car-Parrinello. This method is then used for investigating the structure of a two-dimensional…
Surface resistivity of hydrogenated amorphous carbon films was measured as a function of the applied electrical field. The measured dependence shows a sharp ambipolar peak near zero gate voltage. Furthermore, we found that in some samples…
We made heat-capacity measurements of two dimensional (2D) $^3$He adsorbed on graphite preplated with monolayer $^4$He in a wide temperature range (0.1 $\leq T \leq$ 80 mK) at densities higher than that for the 4/7 phase (= 6.8 nm$^{-2}$).…
We theoretically investigate ultrafast and nonlinear optical properties of graphite thin films based on first-principles time-dependent density functional theory. We first calculate electron dynamics in a unit cell of graphite under a…
We investigate the adsorption sites of $3d$ transition metal (TM) adatoms by means of low-temperature scanning tunneling microscopy and spectroscopy. Co and Ni adatoms were adsorbed on two types of graphene on SiC(0001), i.e. pristine…
This paper presents a new technique to study the adsorption and desorption of ions and electrons on insulating surfaces in the presence of strong electric fields in cryoliquids. The experimental design consists of a compact cryostat coupled…
Using ab initio thermodynamics, the stability of a wide range of hydrocarbon adsorbates under various chemical vapor deposition (CVD) conditions (temperature, methane and hydrogen pressures) used in experimental graphene growth protocols at…
Nearly two-dimensional diamond, or diamane, is coveted as ultrathin $sp^3$-carbon film with unique mechanics and electro-optics. The very thinness ($~h$) makes it possible for the surface chemistry, e.g. adsorbed atoms, to shift the bulk…
We calculate the electronic structure and magnetic properties of hydrogenated graphite surfaces using van der Waals density functional theory (DFT) and model Hamiltonians. We find, as previously reported, that the interaction between…