Related papers: Stability and electronic properties of two-dimensi…
The exploration of superconductivity in low-dimensional materials has attracted intensive attention for decades. Based on first-principles electronic structure calculations, we have systematically investigated the electronic and…
Potassium-decorated graphenyldiene (K@GPD) is investigated as a promising two-dimensional material for reversible hydrogen storage using first-principles density functional theory calculations. Potassium atoms bind strongly to the GPD…
Tellurium (Te) is an intrinsically p-type doped narrow bandgap semiconductor with excellent electrical conductivity and low thermal conductivity. Bulk trigonal Te has been theoretically predicted and experimentally demonstrated to be an…
Outstanding wide-bandgap semiconductor material such as gallium nitride (GaN) has been extensively utilized in power electronics, radiofrequency amplifiers, and harsh environment devices. Due to its quantum confinement effect in enabling…
Scaling wide-band-gap semiconductors to the ultrathin limit offers a transformative pathway for power electronics, with gallium nitride (GaN) representing a cornerstone material in this class. However, the operational resilience and…
We demonstrate the first successful functionalization of epitaxial three-dimensional graphene with metal nanoparticles. The functionalization is obtained by immersing the 3D graphene in a nanoparticle colloidal solution. This method is…
The realization of air-stable 2D metals epitaxial to SiC and capped by graphene creates a potentially immense chemical space of 2D metals and alloys that could expand the variety of solid-state excitations unique to 2D metals beyond what is…
The growth of two-dimensional epitaxial materials on industrially relevant substrates is critical for enabling their scalable synthesis and integration into next-generation technologies. Here we present a comprehensive study of the…
Graphene, the first true two-dimensional material still reveals the most remarkable transport properties among the growing class of two-dimensional materials. Although many studies have investigated fundamental scattering processes, the…
Here, we report an alternative route to achieve two dimensional electron gas (2DEG) in a semiconductor structure. It has been shown that charge accumulation on the side facets can lead to the formation of 2DEG in a network of c-axis…
Owing to its peculiar energy dispersion, the quantum capacitance property of graphene can be exploited in a two-dimensional layered capacitor configuration. Using graphene and boron nitride respectively as the electrodes and the insulating…
We introduce the ideal Gaussian glass-forming system as a model to describe the thermodynamics and dynamics of supercooled liquids on a local scale in terms of the properties of the potential energy landscape (PEL). The first ingredient is…
High pressure structures, phase diagram and superconductivity of polonium hydrides have been systematically investigated through the first-principles calculations based on the density functional theory. With the increasing pressure, several…
Since the initial isolation of few-layer graphene, a plethora of two-dimensional atomic crystals has become available, covering almost all known materials types including metals, semiconductors, superconductors, ferro- and antiferromagnets.…
Designing new 2D systems with tunable properties is an important subject for science and technology. Starting from graphene, we developed an algorithm to systematically generate 2D carbon crystals belonging to the family of graphdiynes…
In strongly correlated quantum materials, electrons behave in ways that often extend beyond the confines of conventional Fermi-liquid theory. Interesting results include the observation of low-temperature metallic behavior in systems that…
$\mathrm{\beta}$-Gallium oxide ($\mathrm{\beta\mbox{-}Ga_{2}O_{3}}$) is an emerging widebandgap semiconductor for potential application in power and RF electronics applications. Initial theoretical calculation on a 2-dimensional electron…
Hydrides are considered to be one of the most promising families of compounds for achieving high temperature superconductivity. However, there are very few experimental reports of ambient-pressure hydride superconductivity, and the…
We present materials informatics approach to search for superconducting hydrogen compounds, which is based on a genetic algorithm and a genetic programming. This method consists of four stages: (i) search for stable crystal structures of…
We develop a generic strategy and simple numerical models for multi-component metallic glasses for which the swap Monte Carlo algorithm can produce highly stable equilibrium configurations equivalent to experimental systems cooled more than…