Related papers: Mechanical Properties of Single-Layer Black Phosph…
The puckered surface of black phosphorus represents an ideal substrate for an unconventional arrangement of physisorbed species and the resulting specific two-dimensional chemistry of this system. This opens the way to investigate the…
Systematic engineering of atomic-scale low-dimensional defects in two-dimensional nanomaterials is a promising way to modulate the electronic properties of these nanomaterials. Defects at interfaces such as grain boundaries and line defects…
We explore the oxidation of a single layer of black phosphorous using ab initio density functional theory calculation. We search for the equilibrium structures of phosphorene oxides, PO$_x$ with various oxygen concentrations $x$…
The most recent experimental advances could provide ways for the fabrication of several atomic thick and planar forms of boron atoms. For the first time, we explore the mechanical properties of five types of boron films with various vacancy…
The electronic properties of the layered black phosphorus (black-P) and its monolayer counterpart phosphorene are investigated by using the first-principles calculations based on the density functional theory (DFT). The room-temperature…
We present measurements on in-plane Young's modulus and the Gr\"{u}neisen parameter of multilayer graphene with varying number of layers, obtained through {\it in situ} bulge tests. Accurate determination of their elastic parameters poses a…
In this work, we reported uniform layer-by-layer sublimation of black phosphorus under heating below 600 K. The uniformity and crystallinity of BP samples after thermal thinning were confirmed by Raman spectra and 2D Raman imaging. A…
The Janus VSBrI monolayer, identified by first-principles calculations, emerges as a promising semiconducting material with desirable ferromagnetic and ferroelectric properties. It's in-plane magnetic anisotropic energy is up to 460…
We ascertain the anisotropic thermal conductivity of alumina passivated black phosphorus (BP), a reactive 2D nanomaterial with strong in-plane anisotropy. We measure the room temperature thermal conductivity by time-domain thermoreflectance…
We experimentally determine the lattice dynamics of black phosphorus layered crystals through a combination of x-ray diffuse scattering and inelastic x-ray scattering, and we rationalize our experimental findings using $\textit{ab initio}$…
Intercalation is an effective method to improve and modulate properties of two-dimensional materials. Even so, spatially controlled intercalation at atomic scale, which is important to introduce and modulated properties, has not been…
Perpendicular magnetic anisotropy was found to be highly sensitive to the nominal thickness and morphology of laterally heterogeneous CoPd films in the vicinity of the metal insulator transition. We used the effect to tune the anisotropy by…
Ternary semiconductor CuYS2 is studied by using the first-principles methods in the density functional theory (DFT) framework. The structural, electronic, optical and elastic properties were calculated at the ambient and elevated…
In this work the linear elastic properties of materials containing spherical voids are calculated and compared using finite element simulations. The focus is on homogeneous solid materials with spherical, empty voids of equal size. The…
Mechanical characterizations of plant roots are of primary importance in geophysics and engineering science for implementing mechanical models for the stability of root reinforced-soils, as well as in agronomy and soil science for…
Rippling is an inherent quality of two-dimensional materials playing an important role in determining their properties. Here, we study the effect of structural corrugations on the electronic and transport properties of monolayer black…
We show using computer simulations and mean field theory that a system of particles in two dimensions, when confined laterally by a pair of parallel hard walls within a quasi one dimensional channel, possesses several anomalous structural…
Phosphorene, an emerging elemental two-dimensional (2D) direct band gap semiconductor with fascinating structural and electronic properties distinctively different from other 2D materials such as graphene and MoS2, is promising for novel…
The incorporation of electrically tunable materials into photonic structures such as waveguides and metasurfaces enables dynamic control of light propagation by an applied potential. While many materials have been shown to exhibit…
Screening in reduced dimensions has strong consequences on the electronic properties in van der Waals semiconductors, impacting the quasiparticle band gap and exciton binding energy. Screening in these materials is typically treated…