相关论文: How Substitutional Point Defects in Two-Dimensiona…
Photoluminescence (PL) of transition metal dichalcogenide (TMD) monolayers is strongly influenced by the dielectric environment. The defect states present in the substrate induces uncontrollable doping in the TMD monolayer and thereby…
Controlling the crystal phase of two-dimensional (2D) transition metal dichalcogenides (TMDs) is essential for tailoring their optical and electronic properties. While phase transitions in monolayer TMDs and semiconductor-to-metal…
Systems that simultaneously exhibit superconductivity and spin-orbit coupling are predicted to provide a route toward topological superconductivity and unconventional electron pairing, driving significant contemporary interest in these…
Scalable substitutional doping of two-dimensional (2D) transition metal dichalcogenides (TMDCs) is a prerequisite to developing next-generation logic and memory devices based on 2D materials. To date, doping efforts are still nascent. Here,…
Two-dimensional (2D) materials have become a fertile playground for the exploration and manipulation of novel collective electronic states. Recent experiments have unveiled a variety of robust 2D orders in highly-crystalline materials…
Properties of semiconductors are largely defined by crystal imperfections including native defects. Van der Waals (vdW) semiconductors, a newly emerged class of materials, are no exception: defects exist even in the purest materials and…
Two-dimensional (2D) halide perovskites are emerging as promising candidates for nano-electronics and optoelectronics. To realize their full potential, it is important to understand the role of those defects that can strongly impact…
Semiconducting transition metal dichalcogenides (TMDCs) have attracted a lot of attention recently, because of their interesting electronic, optical, and mechanical properties. Among large numbers of TMDCs, monolayer of tungsten diselenides…
We report the results of an ab initio modeling of substitutional impurities such as zinc, copper and zirconium ions incorporated into the magnesium sublattice of MgB2. The goal of computational studies was to gain an atomistic understanding…
In the quasi-2D electron systems of the layered transition metal dichalcogenides (TMD) there is still a controversy about the nature of the transitions to charge-density wave (CDW) phases, i.e. whether they are described by a Peierls-type…
Two-dimensional semiconducting transition metal dichalcogenides (TMDs) are promising for optoelectronic applications due to their strongly bound excitons. While bright excitons have been thoroughly scrutinized, dark excitons are much less…
Adsorbate engineering is a promising route for controlling the electronic properties of monolayer transition-metal dichalcogenide materials. Here, we study shallow bound states induced by charged adatoms on MoS$_2$ using large-scale…
We investigate electronic instabilities in 2H-TaS\textsubscript{2} and a self-intercalated variant, 2H$^\dagger$-Ta\textsubscript{1+$\delta$}S\textsubscript{2}. In conventional samples, which we determine to be slightly hole-doped, spectral…
Doping of a two-dimensional (2D) material by impurity atoms occurs \textit{via} two distinct mechanisms: absorption of the dopants by the 2D crystal or adsorption on its surface. To distinguish the relevant mechanism, we systematically dope…
Substitutionally doped transition metal dichalcogenides (TMDs) are the next step towards realizing TMD-based field effect transistors, sensors, and quantum photonic devices. Here, we report on the influence of Re concentration on charge…
Superconducting layered transition metal dichalcogenides (TMDs) stand out among other superconductors due to the tunable nature of the superconducting transition, coexistence with other collective electronic excitations (charge density…
Understanding how atomic defects shape the nanoscale optical properties of two-dimensional (2D) semiconductors is essential for advancing quantum technologies and optoelectronics. Using scanning tunneling spectroscopy (STS) and luminescence…
Atomically thin transition metal dichalcogenides (TMDs) hold promising potential for applications in optoelectronics. Due to their direct band gap and the extraordinarily strong Coulomb interaction, TMDs exhibit efficient light-matter…
Two-dimensional semiconductors, known as Transition Metal Dichalcogenides (TMDCs), are of great interest among many materials due to their unique 2D characteristics, including exceptional electronic and optical properties. These compounds…
Transition metal dichalcogenides (TMDs) are a class of two-dimensional (2D) materials been widely studied for emerging electronic properties. In this work, we use computational simulations to examine the water adsorption on TMDs…