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Lattice Mismatch Induced Tunable Dimensionality of Transition Metal Dichalcogenides

晶格失配诱导的过渡金属二硫族化物可调维度转变
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摘要 Low-dimensional materials have excellent properties which are closely related to their dimensionality.However,the growth mechanism underlying tunable dimensionality from 2D triangles to 1D ribbons of such materials is still unrevealed.Here,we establish a general kinetic Monte Carlo model for transition metal dichalcogenides(TMDs) growth to address such an issue.Our model is able to reproduce several key findings in experiments,and reveals that the dimensionality is determined by the lattice mismatch and the interaction strength between TMDs and the substrate.We predict that the dimensionality can be well tuned by the interaction strength and the geometry of the substrate.Our work deepens the understanding of tunable dimensionality of low-dimensional materials and may inspire new concepts for the design of such materials with expected dimensionality.
作者 Hanxiao Dong Huijun Jiang Zhonghuai Hou 董含笑;江慧军;侯中怀(中国科学技术大学化学物理系,合肥微尺度物质科学国家研究中心,合肥230026)
出处 《Chinese Journal of Chemical Physics》 SCIE EI CAS CSCD 2022年第6期853-859,I0001-I0004,I0072,共12页 化学物理学报(英文)
基金 supported by the Ministry of Science and Technology (No.2018YFA0208702) the National Natural Science Foundation of China (No.32090044,No. 21973085,No.21833007,No.21790350) Anhui Initiative in Quantum Information Technologies (AHY 090200) the Fundamental Research Funds for the Central Universities (WK2340000104)。
关键词 Transition metal dichalcogenide Dimensionality Low-dimensional material Lattice mismatch Kinetic Monte Carlo simulation 过渡金属二硫族化物 维度 低维材料 晶格失配 动力学蒙特卡洛模拟
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