相关论文: Theoretically proposed another stable polymorph of…
New allotropes of two-dimensional (2D) GaP and InP binary compounds were predicted from the structural optimization and dynamical stability analysis in the framework of the density functional calculations. These stabilized GaP and InP…
Two-dimensional (2D) topological insulators (TIs) have attracted tremendous research interest from both theoretical and experimental fields in recent years. However, it is much less investigated in realizing node line (NL) semimetals in 2D…
Oxidation of two-dimensional (2D) layered materials has proven advantageous in creating oxide/2D material heterostructures, opening the door for a new paradigm of low-power electronic devices. Gallium (II) sulfide ($\beta$-GaS), a hexagonal…
Two dimensional materials as electrodes have shown unique advantages such as the infinite planar lengths, broad electrochemical window, and much exposed active sites. In this work, by means of density functional theory computations, we…
Beta-PtO2 is a useful transition metal dioxide, but its fundamental thermodynamic and elastic properties remain unexplored. Using first-principles calculations, we systematically studied the structure, phonon, thermodynamic and elastic…
Searching the novel 2D semiconductor is crucial to develop the next-generation low-dimensional electronic device. Using first-principles calculations, we propose a class of unexplored binary V-V compound semiconductor (PN, AsN, SbN, AsP,…
Silicon-based two-dimensional (2D) materials, including well-known silicene, have garnered considerable attention due to their potential in advanced electronic and optoelectronic applications. Here, we introduce a novel 2D silicon variant,…
The downscaling of silicon-based structures and proto-devices has now reached the single atom scale, representing an important milestone for the development of a silicon-based quantum computer. One especially notable platform for atomic…
Inspired by the unique properties of graphene, the focus in the literature is now on investigations of various two-dimensional (2D) materials with the aim to explore their properties for future applications. The group IV analogues of…
Density functional theory (DFT) and many body perturbation theory at the G$_0$W$_0$ level are employed to study the electronic properties of polythiophene (PT) adsorbed on graphene surface. Analysis of charge density difference shows the…
Two-dimensional Indium Selenide (InSe) has attracted extensive attention recently due to its record-high charge carrier mobility and photoresponsivity in the fields of electronics and optoelectronics. Nevertheless, the mechanical properties…
Based on first-principles calculations and symmetry analysis, we report that the three-dimensional (3D) nodal line (NL) semimetal phases can be realized in the lead dioxide family (\emph{$\alpha$}-PbO$_2$ and \emph{$\beta$}-PbO$_2$) and its…
The intact transfer and assembly of two-dimensional (2D) materials and their heterostructures are critical for their integration into advanced electronic and optical devices. Herein, we report a facile technique called volatile polymer…
InSe, a newly rediscovered two-dimensional (2D) semiconductor, possesses superior electrical and optical properties as a direct bandgap semiconductor with high mobility from bulk to atomically thin layers, drastically different from…
We conducted density functional theory (DFT) and molecular dynamics simulations to explore the mechanical/failure, thermal conductivity and stability, electronic and optical properties of three N-graphdiyne nanomembranes. Our DFT results of…
Bulk PbSnSe has a two-phase region or miscibility gap as the crystal changes from a Van der Waals-bonded orthorhombic 2D layered structure in SnSe-rich compositions to the related 3D-bonded rocksalt structure in PbSe-rich compositions with…
The electronic band structures of two-dimensional materials are significantly different from those of their bulk counterparts, due to quantum confinement and strong modifications of electronic screening. An accurate determination of…
Spontaneous symmetry breaking has been a paradigm to describe the phase transitions in condensed matter physics. In addition to the continuous electromagnetic gauge symmetry, an unconventional superconductor can break discrete symmetries…
Poly(3,4-ethylenedioxythiophene) : poly(styrene sulfonic acid (PEDOT:PSS), an optically transparent organic semi-conductor, constitutes a suspension of conducting PEDOT:PSS grains, shelled by an insulating layer of PSS. While a percolation…
Single crystal synchrotron X-ray diffraction as a function of temperature and pressure has revealed a complex biphase mixture in superconducting FeSe. Based on our experimental results we construct a phase diagram where structural behavior…