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The effect of size and temperature on the tensile mechanical properties of zinc blende CdSe nanowires is investigated by all atoms molecular dynamic simulation. We found the ultimate tensile strength and Youngʼs modulus will decrease as the temperature and size of the nanowire increase. The size and temperature dependence are mainly attributed to surface effect and thermally elongation effect. High...
Using nonequilibrium Greenʼs functions in combination with the density functional theory, we investigated the electronic transport behaviors of zigzag graphene nanoribbon (ZGNR) heterojunctions with different edge hydrogenations. The results show that electronic transport properties of ZGNR heterojunctions can be modulated by hydrogenations, and prominent rectification effects can be observed. We...
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