Browsing Modelling and Simulation in Life and Materials Sciences by Subject "Ab-initio calculations"
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Ab-initio calculations of strain induced relaxed shape armchair graphene nanoribbon
(2019)An odd number of zigzag edges in armchair graphene nanoribbons and their mechanical properties (e.g., Young's modulus, Poisson ratio and shear modulus) have potential interest for bandgap engineering in graphene based ...