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Bending-induced extension in two-dimensional crystals 被引量:1
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作者 Douxing Pan Yao Li +1 位作者 tzu-chiang wang Wanlin Guo 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2017年第1期71-76,共6页
We find by ab initio simulations that significant overall tensile strain can be induced by pure bending in a wide range of two-dimensional crystals perpendicular to the bending moment, just like an accordion being ben... We find by ab initio simulations that significant overall tensile strain can be induced by pure bending in a wide range of two-dimensional crystals perpendicular to the bending moment, just like an accordion being bent to open. This bending-induced tensile strain increases in a power law with bent curvature and can be over 20% in monolayered black phosphorus and transition metal dichalcogenides at a moderate curvature of but more than an order weaker in graphene and hexagon boron nitride. This accordion effect is found to be a quantum mechanical effect raised by the asymmetric response of chemical bonds and electron density to the bending curvature. 展开更多
关键词 Monolayer black phosphorus Bending to extension Accordion effect Density functional theory
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