过渡金属硫族化合物的可控生长：机理分析与模拟挑战

打开文本图片集

中图分类号：O469文献标志码：A

Controllable growth transition metal chalcogenide： mechanism analysis simulation challenges

ZENG Yuhan， JIANG Zishuo， ZENG Guohua， YANG Yupeng，YIN Zifan，LIAO Feng（ ， 241oo2， ）

Abstract： With the rapid development transition metal chalcogenides （TMDCs） thin-film materials in microelectronics， optoelectronic devices， energy storage applications， the dem for wafer-scale， high-performance TMDCs has grown significantly. Chemical vapor deposition （CVD）， as a critical synthesis technique，has attracted considerable attention due to its superior controllability scalability. However， optimizing the fabrication process highly depends on key parameters such as temperature， precursor concentration， gas flow rate，as well as the synergistic interplay between fluid dynamics chemical reactions within the reactor， posing significant challenges for process refinement. This review summarizes the core parameters influencing the quality deposition efficiency TMDCs thin films in CVD processes， with a particular focus on the regulatory mechanisms governing TMDCs growth. Through numerical simulation methods， we systematically analyze the efects gas flow dynamics， heat mass transfer， surface chemical reactions on film uniformity crystallinity. Multiple researches have demonstrated that numerical simulationsnot only provide deep insights into the physicochemical nature TMDCs growth but also er quantitative guidance for experimental process optimization.However， it still remains key challenges， including the establishment multiphysics coupled models， the development multiscale simulation approaches， the synergistic validation experimental computational data.

Keywords： chemical vapor deposition； transition metal chalcogenides； numerical simulation;growth parameters

自2004年通过机械剥离法成功制备石墨烯以来[1]，这种具有独特物理化学性质的二维材料迅速成为材料科学领域的研究热点。（剩余42582字）