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Despite a rich choice of two-dimensional materials, which exists these days, heterostructures, both vertical (van der Waals) and in-plane, offer an unprecedented control over the properties and functionalities of the resulted structures.…
Single layer core/shell structures consisting of graphene as core and hexagonal boron nitride as shell are studied using first-principles plane wave method within density functional theory. Electronic energy level structure is analysed as a…
The recently observed unconventional ferroelectricity in AB bilayer graphene sandwiched by hexagonal Boron Nitride (hBN) presents a new platform to manipulate correlated phases in multilayered van der Waals heterostructures. We present a…
Due to their exceptional mechanical and optical properties, dielectric silicon nitride (SiN) micromembrane resonators have become the centerpiece of many optomechanical experiments. Efficient capacitive coupling of the membrane to an…
The electronic properties graphene nanoflakes (GNFs) with embedded hexagonal boron nitride (hBN) domains are investigated by combined {\it ab initio} density functional theory calculations and machine learning techniques. The energy gaps of…
Aqueous asymmetric electrochemical capacitor, with their high power density and superior cycle stability in comparison to conventional batteries, are presently considered as the most promising contender for energy storage. However,…
Periodically corrugated epitaxial graphene and hexagonal boron nitride (h-BN) on metallic substrates are considered as perspective templates for the self-assembly of nanoparticles arrays. By using first-principles calculations, we determine…
Hexagonal boron nitride is widely used as a substrate for two-dimensional materials in both electronic and photonic devices. Here, we demonstrate that two-dimensional hexagonal boron nitride is also an ideal substrate for one-dimensional…
Monolayer of hexagonal boron nitride (h-BN), commonly known as "white graphene" is a promising wide bandgap semiconducting material for deep-ultaviolet optoelectronic devices. In this report, the light absorption of a single layer hexagonal…
The growing demand for efficient energy storage has driven the search for advanced anode materials for lithium- and sodium-ion batteries (LIBs and SIBs). In this context, we report the application of HOP-graphene (a 5-6-8-membered 2D carbon…
Realizing high-performance nanoelectronics requires control of materials at the nanoscale. Methods to produce high quality epitaxial graphene (EG) nanostructures on silicon carbide are known. The next step is to grow Van der Waals…
We improvise a novel approach to carry out first-principles simulations of graphene-based vertical field effect tunneling transistors that consist of a graphene$|${\it h}-BN$|$graphene multilayer structure. Within the density functional…
Using first-principles calculations based on density functional theory and non-equilibrium Green's functions, we characterized the effect of surface termination on the electronic transport properties of nanoscale Cu slabs. With ideal, clean…
High-quality BN-Graphene-BN nanoribbon capacitors with double side-gates of graphene are experimentally realized. Graphene electronic properties can be significantly modulated by the double side-gates. The modulation effects are very…
Two-dimensional materials are characterised by a number of unique physical properties which can potentially make them useful to a wide diversity of applications. In particular, the large thermal conductivity of graphene and hexagonal boron…
Multifunctional polymer composites with anisotropic properties are attracting interests as they fulfil the growing demand of multitasking materials. In this work, anisotropic polymer composites are fabricated by combining the layer-by-layer…
When two-dimensional crystals are brought into close proximity, their interaction results in strong reconstruction of electronic spectrum and local crystal structure. Such reconstruction strongly depends on the twist angle between the two…
Hexagonal boron nitride (hBN) flakes are key building blocks for encapsulating two-dimensional (2D) materials, providing atomically flat surfaces and an excellent dielectric environment for high-mobility field-effect transistors and…
We investigate band-gap tuning of bilayer graphene between hexagonal boron nitride sheets, by external electric fields. Using density functional theory, we show that the gap is continuously tunable from 0 to 0.2 eV, and is robust to…
The field of plasmonics seeks to find materials with an intensive plasmon (large plasmon pole weight) with low Landau, phonon and other losses (small decay width). In this paper we propose a new class of materials that show exceptionally…