Related papers: On the Atomic Structure of Two-Dimensional Materia…
We study both analytically and numerically how the electronic structure and the transport properties of a two-dimensional disordered system are modified in the presence of resonances. The energy dependence of the density of states and the…
We present a first-principles study of the nonlinear optical properties of sliding ferroelectric bilayers based on MoSe$_2$ and Janus MoSSe. Two Janus configurations are considered: i) one bilayer where the two intralayer polarizations…
Two-dimensional (2D) Janus transitional metal dichalcogenides (TMDCs) have great potential for photocatalytic water splitting due to their novel properties induced by the unique out-of-plane asymmetric structures. Here, we systematically…
It has been widely accepted that planar boron structures, composed of triangular and hexagonal motifs are the most stable two dimensional (2D) phases and likely precursors for boron nanostructures. Here we predict, based on ab initio…
We have performed an extensive constant temperature Molecular Dynamics study of two-dimensional systems involving Janus dumbbells and spherical particles. Janus dumbbells have been modelled as two spheres, labeled 1 and 2, joined together…
Two-dimensional (2D) ferromagnetic materials present promising candidates for spintronic devices, and the half-metallic materials with 100% spin polarization at Fermi energy level are highly desired for many spin-based devices. 2D Janus…
We study the dynamical stability of elemental two-dimensional (2D) metals from Li to Pb by calculating the phonon band structure from first principles, where 2D structures are assumed to be planer hexagonal, buckled honeycomb, and buckled…
The tin-selenide and tin-sulfide classes of materials undergo multiple structural transitions under high pressure leading to periodic lattice distortions, superconductivity, and topologically non-trivial phases, yet a number of…
Ridged, orthorhombic two-dimensional atomic crystals with a bulk {\em Pnma} structure such as black phosphorus and monochalcogenide monolayers are an exciting and novel material platform for a host of applications. Key to their…
Janus two-dimensional (2D) materials have attracted much attention due to possessing unique properties caused by their out-of-plane asymmetry, which have been achieved in many 2D families. In this work, the Janus monolayers are predicted in…
Two-dimensional (2D) materials are strongly affected by the dielectric environment including substrates, making it an important factor in designing materials for quantum and electronic technologies. Yet, first-principles evaluation of…
We explore the pressure versus temperature phase diagram of dimeric Janus nanoparticles using Molecular Dynamics simulations. The nanoparticle was modeled as a dumbbells particle, and have one monomer that interacts by a standard Lennard…
Two-dimensional (2D) layered materials hosting dislocations have attracted considerable research attention in recent years. In particular, screw dislocations can result in a spiral topology and an interlayer twist in the layered materials,…
The simultaneous condensation of electronic and structural degrees of freedom gives rise to new states of matter, including superconductivity and charge-density-wave formation. When exciting such a condensed system, it is commonly assumed…
We present results of atomic-force-microscopy-based friction measurements on Re-doped molybdenum disulfide (MoS2). In stark contrast to the widespread observation of decreasing friction with increasing number of layers on two-dimensional…
We study effects of the spontaneous symmetry-breaking (SSB) in solitons built of the dipolar Bose-Einstein condensate (BEC), trapped in a dual-core system with the dipole-dipole interactions (DDIs) and hopping between the cores. Two…
Two-dimensional (2D) materials have aroused considerable research interests owing to their potential applications in nanoelectronics and optoelectronics. Thermodynamic stability of 2D structures inevitably affects the performance and power…
Due to their combination of mechanical stiffness and flexibility, two-dimensional (2D) materials have received significant interest as potential electromechanical materials. Flexoelectricity is an electromechanical coupling between strain…
We design two-dimensional (2D) mechanical metamaterials that may be deformed substantially at little or no energy cost. Examples of such deformable structures are assemblies of rigid isosceles triangles hinged in their corners on the…
Starting from a single layer of NbS$_2$ grown on graphene by molecular beam epitaxy, the single unit cell thick 2D materials Nb$_{5/3}$S$_3$-2D and Nb$_2$S$_3$-2D are created using two different pathways. Either annealing under…