Zirconium (IV) sulfide is the inorganic compound with the formula Zr S 2. It is a violet-brown solid. It adopts a layered structure similar to that of cadmium iodide. Like the closely related titanium disulfide, ZrS 2 is prepared by heating sulfur and zirconium metal. It can be purified by vapor transport using iodine. [2]

ZrS2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one ZrS2 sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded to six equivalent S2- atoms to form edge-sharing ZrS6 octahedra.

2022年4月23日 · The epitaxial ZrS2 film exhibits n-type semiconductor behavior with a room temperature mobility of 2.4 cm2·V−1·s−1, and the optical phonon is the dominant scattering mechanism at room temperature or above. Furthermore, the optoelectronic applications of ZrS2 films are demonstrated by fabricating photodetector devices.

2021年10月14日 · Zirconium sulfide (ZrS2) | S2Zr | CID 82867 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety/hazards/toxicity information, supplier lists, and more.

二硫化锆是一种无机物，化学式为ZrS2，属于ⅣB族 过渡金属 二硫化物之一 [1]，为 半导体材料，黑色粉末材料，不溶于水， 有机溶剂， 热稳定性 强。 化学稳定性强。 单层二硫化锆具有优越的电学性质,其具备较高的声子受限迁移上限 (1200cm2/V·s)。 以二硫化锆为基底的场效应管 (TFETs)具有较高的板电流密度 (800μA/μm)。 [2] 二硫化锆已经被广泛应用于场效应 晶体管 、 传感器 、激光纤维的制备。 [1] 二硫化锆是一种无机物，化学式为ZrS2，属于ⅣB族过渡金属二 …

We present the scalable synthesis of large scale (up to 30 μm in lateral size), single-crystalline, atomically thin hexagonal ZrS 2 nanoflakes via an optimized chemical vapor deposition (CVD) method on traditional substrates (silica, sapphire).

2019年1月1日 · Monolayer ZrS 2 has new interband transitions at energy levels of 4-7 eV and 7-10 eV. For energy ranging from -14 eV to 6 eV, the dielectric constants, energy loss, and reflectance are close to experimental values. ZrS 2 is highly anisotropic to the parallel and perpendicular components of electric field at energy lower than 10 eV.

2022年8月1日 · Under framework of first-principles calculation, we construct ZrS 2 /ZrSe 2 heterostructure and explore the effects of the uniaxial and biaxial strains on its electronic and optical properties. Band structure shows the unstrained ZrS 2 /ZrSe 2 heterostructure has a type-II band alignment.

Zirconium disulfide (ZrS 2, CAS number 12039-15-5) has a layered structure and it belongs to group IV transition metal dichalcogenides (TMDCs). ZrS 2 crystals have the 1T structure, single layer of ZrS 2 is formed by a zirconium atom layer sandwiched between two layers of sulfur atoms that are covalently bonded to the zirconium atoms.

本文核心为利用化学气相沉积法 (CVD)，在传统的硅衬底上，可控制备大面积单层ZrS2。 并利用基于密度泛函理论的第一性原理计算得出单层ZrS2的能带图与XRD图形，与实验所得的样品表征进行对比印证。 主要研究内容如下： 1、运用MaterialStudio3D软件构建ZrS2原胞并对其进行几何结构优化，将优化后晶格常数分别为a=3.69092?，b=3.69092?的单层ZrS2经过杂化泛函计算，得出单层ZrS2的能带图，带隙为1.4eV，从推算出的XRD图形中，观察到衍射峰分别出现在2θ …