Related papers: Tunable bandgap and magnetic ordering by adsorptio…
We investigate the effects of Na adsorption on the electronic structure of bare and Ir cluster superlattice covered epitaxial graphene on Ir(111) using angle-resolved photoemission spectroscopy and scanning tunneling microscopy. At Na…
Magnetic order emerging in otherwise non-magnetic materials as carbon is a paradigmatic example of a novel type of s-p electron magnetism predicted to be of exceptional high-temperature stability. It has been demonstrated that atomic scale…
The laminated structure of graphene oxide (GO) confers unique interactions with water molecules which may be utilised in a range of applications that require materials with tuneable hygroscopic properties. Precise roles of the expandable…
Graphene is a 2D material with appealing electronic and optoelectronic properties. It is a zero-bandgap material with valence and conduction bands meeting in a single point (Dirac point) in the momentum space. Its conductivity can be…
Experimental realization of efficient graphene-based absorbers is a challenging task due to the low carrier mobility in processed graphene. In this paper, we circumvent this problem by placing uniform graphene sheets on metallic…
The magneto-optical absorption properties of graphene multilayers are theoretically studied. It is shown that the spectrum can be decomposed into sub-components effectively identical to the monolayer or bilayer graphene, allowing us to…
Controlling the bandgap through local-strain engineering is an exciting avenue for tailoring optoelectronic materials. Two-dimensional crystals are particularly suited for this purpose because they can withstand unprecedented…
The rapid technological progress in the 21st century demands new multi-functional materials applicable to a wide variety of industries. Two-dimensional (2D) materials are predicted to have a revolutionary impact on the cost, size, weight,…
An odd number of zigzag edges in armchair graphene nanoribbons and their mechanical properties (e.g., Young's modulus, Poisson ratio and shear modulus) have potential interest for bandgap engineering in graphene based optoelectronic…
Opening a sizable band gap in the zero-gap germanene without heavy loss of carrier mobility is a key issue for its application in nanoelectronic devices such as high-performance field effect transistors (FETs) operating at room temperature.…
The coherent electron transport along zigzag and metallic armchair graphene nanoribbons in the presence of one or two vacancies is investigated. Having in mind atomic scale tunability of the conductance fingerprints, the primary focus is on…
Graphene, a one-atom thick zero gap semiconductor [1, 2], has been attracting an increasing interest due to its remarkable physical properties ranging from an electron spectrum resembling relativistic dynamics [3-12] to ballistic transport…
The adsorption of an adenine molecule on graphene is studied using a first-principles van der Waals functional (vdW-DF) [Dion et al., Phys. Rev. Lett. 92, 246401 (2004)]. The cohesive energy of an ordered adenine overlayer is also…
By using first-principles calculations, we investigated the effects of graphene/boron nitride (BN) encapsulation, surface functionalization by metallic elements (K, Al, Mg and typical transition metals) and molecules…
Electron wavefunctions in twisted bilayer graphene may have a strong single layer character or be intrinsically delocalized between layers, with their nature often determined by how energetically close they are to the Dirac point. In this…
The adsorption of metal atoms on nanostructures, such as graphene and nanotubes, plays an important role in catalysis, electronic doping, and tuning material properties. Quantum chemical calculations permit the investigation of this process…
This study presents a comprehensive computational investigation of magnetite nanoparticles, systematically evaluating a range of force fields against experimental results. We analyze the influence of particle size, temperature, and…
This work describes the behaviour of water molecules in 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid under nanoconfinement between graphene sheets. By means of molecular dynamics simulations, an adsorption of water molecules…
Understanding how the mechanical behavior of materials deviates at the nanoscale from the macroscopically established concepts is a key challenge of particular importance for graphene, given the complex interplay between its nanoscale…
Spatial separation of electrons and holes in graphene gives rise to existence of plasmon waves confined to the boundary region. Theory of such guided plasmon modes within hydrodynamics of electron-hole liquid is developed. For plasmon…