Abstract

To study chemical transport and refine synthetic routes, single crystals of vanadium and zirconium diselenides were grown by the chemical transport reaction method using I₂ and Cl₂ as transporting agents. The thermodynamic parameters of chemical transport have been evaluated, and the mass transfer direction in a growth ampoule has been determined. The phase composition of the samples has been examined by X‑ray powder diffraction. Analysis of X-ray powder diffraction patterns of samples from the low- and high-temperature zones of the growth ampoule has confirmed the predictions based on thermodynamic calculations. With both transporting agents, ZrSe₂ transport occurs from the cold to the hot zone of the ampoule, while the direction of VSe₂ transport depends on the nature of the transporting agent. With I₂ as a transporting agent, transport occurs from the hot to the cold zone of the ampoule, while with Cl₂, in the opposite mass transfer direction is observed. Microphotographs of the samples are consistent with thermodynamic and X‑ray diffraction data. The results can be used to optimize the technology of producing layered transition metal dichalcogenides.

中文翻译：

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以Сl2和I 2为传输剂的VSe 2和ZrSe 2的化学迁移热力学评估

摘要

为了研究化学传输并完善合成路线，通过使用I ₂和Cl ₂作为传输剂的化学传输反应方法生长了钒和二硒化锆单晶。评估了化学传输的热力学参数，并确定了生长安瓿中的传质方向。通过X射线粉末衍射检查了样品的相组成。对来自生长安瓿的低温和高温区域的样品的X射线粉末衍射图进行分析已证实了基于热力学计算的预测。对于这两种传输剂，ZrSe ₂从安瓿的冷区到热区进行传输，而VSe ₂的方向运输取决于运输媒介的性质。以I ₂为传输剂，从安瓿的热区到冷区发生传输，而以Cl _2为界，则观察到相反的传质方向。样品的显微照片与热力学和X射线衍射数据一致。结果可用于优化生产层状过渡金属二卤化金属的技术。