Dong Li1,*, Yonggang Zheng1, Hongwu Zhang1, Hongfei Ye1
The International Conference on Computational & Experimental Engineering and Sciences, Vol.27, No.2, pp. 1-1, 2023, DOI:10.32604/icces.2023.09714
Abstract The family of 2D transition-metal oxides and dichalcogenides with 1H phase (1H-MX2) has sparked great
interest from the perspective of basic physics and applied science. Interestingly, their performances could
be further regulated and improved through strain engineering. Effective regulation is founded on a wellunderstood mechanical performance, however, the large number of 1H-MX2 materials has not yet been
revealed. Here, a general theoretical model is constructed based on the molecular mechanics, which
provides an effective and rapid analytical algorithm for evaluating the mechanical properties of the entire
family of 1H-MX2. The validity of the constructed model is verified by molecular dynamics… More >
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