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We discuss Molecular Dynamics (MD) computer simulations of tetracosane (C24H50) monolayer physisorbed onto a graphite surface. The alkane molecules are simulated with explicit hydrogens, and the graphite substrate is represented as an…
Due to its high carrier mobility, broadband absorption, and fast response time, graphene is attractive for optoelectronics and photodetection applications. However, the extraction of photoelectrons in conventional metal-graphene junction…
We present a comprehensive study of the structural and electronic properties of ultrathin films containing graphene layers synthesized by chemical vapor deposition (CVD) based surface segregation on polycrystalline Ni foils then transferred…
Thin polymer films have striking dynamical properties that differ from their bulk counterparts. With the simple geometry of a stepped polymer film on a substrate, we probe mobility above and below the glass transition temperature…
We explore an alternative way to fabricate (In,Ga)N/GaN short-period superlattices on GaN(0001) by plasma-assisted molecular beam epitaxy. We exploit the existence of an In adsorbate structure manifesting itself by a…
With a swift progress in modern high-throughput communication systems, security, sensing and medicine utilizing THz range technologies, the demand for easy-to-fabricate, lightweight and high-performance absorbing materials has increased…
Porous nanocarbon materials are seen as potential excellent materials for hydrogen storage due to their high surface area, excellent cycling stability and favorable kinetics. This study employs Density Functional Theory (DFT) simulations to…
Nanoporous materials represent a versatile solution for a number of applications ranging from sensing, energy applications, catalysis, drug delivery, and many others. The synergy between the outstanding properties of graphene with a…
Two-dimensional materials offering ultrafast photoresponse suffer from low intrinsic absorbance, especially in the mid-infrared wavelength range. Challenges in 2d material doping further complicate the creation of light-sensitive $p-n$…
We measure the adsorption height of hydrogen-intercalated quasi-free-standing monolayer graphene on the (0001) face of 6H silicon carbide by the normal incidence x-ray standing wave technique. A density functional calculation for the full…
In the present work, the use of a commercial ionic liquid as a convenient solvent medium for graphite exfoliation in mild and easy conditions without any chemical modification is presented. To confirm the presence of few layer graphene, its…
Quantum Monte Carlo simulations at zero temperature of a $^3$He monolayer adsorbed on graphite, either clean or preplated with $^4$He, unexpectedly point to a gas-liquid phase transition at a very low areal density of the order of…
Graphene is a truly two-dimensional material with exceptional electronic, mechanical, and optical properties. As such, it consists of surface only and can be probed by the well developed surface-science techniques as, e.g., scanning…
Graphyne-4 sheet exhibits promising potential for nanoscale desalination to achieve both high water permeability and salt rejection rate. Extensive molecular dynamics simulations on pore-size effects suggest that graphyne-4, with 4…
Thin films and van der Waals heterostructures derived from two-dimensional solids offer enormous potential for a broad range of novel, energy efficient devices, however, their use is currently hampered by slow, labor-intensive fabrication…
We demonstrate that it is possible to mechanically exfoliate graphene under ultra high vacuum conditions on the atomically well defined surface of single crystalline silicon. The flakes are several hundred nanometers in lateral size and…
At present, Pt nanoparticle catalysts in fuel cells suffer from aggregation and loss of chemical activity. In this work, graphdiyne, which has natural porous structure, was proposed as substrate with high adsorption ability to stabilize Pt…
Graphene nanoplatelets (GnPs) are promising candidates for gas sensing applications because they have a high surface area to volume ratio, high conductivity, and a high temperature stability. Also, they cost less to synthesize, and they are…
Subwavelength gratings play a fundamental and pivotal role in numerous science and applications for wave manipulation, exhibiting distinctive features such as filtering, phase manipulation, and anti-reflection. However, conventional…
The phase diagram of a para-H2 monolayer absorbed on a experimentally syntetized amorphous carbon sheet was calculated using a diffusion Monte Carlo technique. We found that the ground state of that system changed drastically from a…