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Many new material systems are being explored to enable smaller, more capable and energy efficient devices. These bottom up approaches for atomic and molecular electronics, quantum computation, and data storage all rely on a well-developed…
Detection of individual molecules is the ultimate goal of any chemical sensor. In the case of gas detection, such resolution has been achieved in advanced nanoscale electronic solid-state sensors, but it has not been possible so far in…
Predictive first-principles calculations suggest graphitic-like GaN to be theoretically possible. Thus far, it has not been experimentally reported. We report on GaN monolayer in a buckled geometry obtained in confinement at graphene/SiC…
Cold gas in galaxies provides a crucial test to evaluate the realism of cosmological hydrodynamical simulations. To extract the atomic and molecular hydrogen properties of the simulated galaxy population, postprocessing methods taking the…
We measured the electronic local density of states (LDOS) of graphite surfaces near monoatomic step edges, which consist of either the zigzag or armchair edge, with the scanning tunneling microscopy (STM) and spectroscopy (STS) techniques.…
We demonstrate that a nonzero concentration $n_v$ of static, randomly-placed vacancies in graphene leads to a density $w$ of zero-energy quasiparticle states at the band-center $\epsilon=0$ within a tight-binding description with…
We have developed a method for depositing graphene monolayers and bilayers with minimum lateral dimensions of 2-10 nm by the mechanical exfoliation of graphite onto the Si(100)-2x1:H surface. Room temperature, ultra-high vacuum (UHV)…
Electronic band structures in hydrogenated graphene are theoretically investigated by means of first-principle calculations and an effective tight-binding model. It is shown that regularly designed hydrogenation to graphene gives rise to a…
On the SiC(0001) surface (the silicon face of SiC), epitaxial graphene is obtained by sublimation of Si from the substrate. The graphene film is separated from the bulk by a carbon-rich interface layer (hereafter called the buffer layer)…
Single electron pumps are set to revolutionize electrical metrology by enabling the ampere to be re-defined in terms of the elementary charge of an electron. Pumps based on lithographically-fixed tunnel barriers in mesoscopic metallic…
A combinatorial approach is employed to investigate the atomic and electronic structures of a metal vacancy in titanium carbide. It turns out that the usual relaxed geometry of the vacancy is just a metastable state representing a local…
By using the density functional theory (DFT) combined with the molecular dynamics (MD) simulations, structural and electronic properties of mono-vacancy (MV) defect in M\"obius strip formed from graphene are investigated. Two kinds of MV…
Population and distribution of defects is one of the primary parameters controlling materials functionality, are often non-ergodic and strongly dependent on synthesis history, and are rarely amenable to direct theoretical prediction. Here,…
The mobility of graphene is very high because the quantum Hall effects can be observed even at room temperature. Graphene has the potential of the material for novel devices because of this high mobility. But the energy gap of graphene is…
The wettability of monolayer and multilayer graphene remains a topic of longstanding debate. Here, we combined first-principles molecular dynamics simulations accelerated with the atomic cluster expansion machine learning interatomic…
We report the chemical reaction of single-layer graphene with hydrogen atoms, generated in situ by electron-induced dissociation of hydrogen silsesquioxane (HSQ). Hydrogenation, forming sp3 C-H functionality on the basal plane of graphene,…
When electrons are confined in a two dimensional (2D) system, typical quantum mechanical phenomena such as Landau quantization can be detected. Graphene systems, including the single atomic layer and few-layer stacked crystals, are ideal 2D…
Graphene and its van der Waals (vdW) heterostructures provide a unique and versatile playground for explorations of strongly correlated electronic phases, ranging from unconventional fractional quantum Hall (FQH) states in a monolayer…
By stacking various two-dimensional (2D) atomic crystals [1] on top of each other, it is possible to create multilayer heterostructures and devices with designed electronic properties [2-5]. However, various adsorbates become trapped…
Monolayer graphene is an example of materials with multi-valley electronic structure. In such materials, the valley index is being considered as an information carrier. Consequently, relaxation mechanisms leading to loss of valley…