Abstract ZrS2, ZrSe2 and mixed alloy ZrSxSe2−x materials were achieved through chemical vapor transport. The incongruent melting system of Zr-S-Se formed crystalline layered flakes as a transport product that grew up to 2 cm in lateral size with cm-scale flakes consistently obtained for the entire compositional range exhibiting visible hexagonal features. Bulk flakes of the series ZrSxSe2−x (x = 0, 0.15, 0.3, 0.6, 1.05, 1.14, 1.51, 1.8 and 2) were analyzed through Raman spectroscopy revealing significant convolution of primary bonding modes and shifting of Raman features as a function of increasing sulfur composition. Additionally, activation of new modes not present in the pure compounds are observed as effects which result from disorder introduced into the crystal due to the random mixing of S-Se in the alloying process. Further structural characterization was performed via x-ray diffraction (XRD) on the layered flakes to evaluate the progression of layer spacing function of alloy composition which was found to range between 6.24 A for ZrSe2 and 5.85 A for ZrS2. Estimation of the compositional ratios of the alloy flakes through energy dispersive spectroscopy (EDS) large-area mapping verified the relation of the targeted source stoichiometry represented in the layered flakes. Atomic-resolution high angle annular dark field (HAADF)-scanning transmission electron microscopy (STEM) imaging was performed on the representative Zr(S0.5Se0.5)2 alloy to validate the 1T atomic structure and observe the arrangement of the chalcogenide columns stacks. Additionally, selected area diffraction pattern generated from the [0 0 0 1] zone axis revealed the in-plane lattice parameter to be approximately 3.715 A.

中文翻译：

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用于光电应用的 ZrSxSe2-x 的化学气相传输合成、表征和成分调整

摘要 ZrS2、ZrSe2 和混合合金ZrSxSe2−x 材料是通过化学气相传输获得的。Zr-S-Se 的不一致熔化系统形成结晶层状薄片作为传输产物，横向尺寸长至 2 cm，在整个组成范围内始终获得 cm 级薄片，表现出可见的六边形特征。通过拉曼光谱分析了 ZrSxSe2−x 系列（x = 0、0.15、0.3、0.6、1.05、1.14、1.51、1.8 和 2）的大块薄片，揭示了主要键合模式的显着卷积和拉曼特征的移动作为函数的函数增加硫成分。此外，观察到纯化合物中不存在的新模式的激活是由于合金化过程中 S-Se 的随机混合而导致的无序引入晶体的结果。通过 X 射线衍射 (XRD) 对层状薄片进行进一步的结构表征，以评估合金成分的层间距函数的进展，发现合金成分的范围在 ZrSe2 的 6.24 和 ZrS2 的 5.85 之间。通过能量色散光谱 (EDS) 大面积映射估计合金薄片的组成比，验证了分层薄片中所代表的目标源化学计量的关系。对具有代表性的 Zr(S0.5Se0.5)2 合金进行原子分辨率高角度环形暗场 (HAADF) 扫描透射电子显微镜 (STEM) 成像，以验证 1T 原子结构并观察硫族化物柱堆叠的排列. 此外，