▎ 摘 要
NOVELTY - Controlling electrical conductivity of two-dimensional/three-dimensional (2D/3D) composite material by applying external shear strain comprises (i) establishing multiple groups of 2D/3D composite material structures according to interface matching of 2D material and 3D material, (ii) performing structural relaxation and optimization on multiple groups of 2D/3D composite material structures, calculating interfacial energy of different 2D/3D composite structure connection methods, and determining metastable structure with lowest interfacial energy, (iii) applying shear strain to metastable structure to obtain a shear strain-stress curve, calculating energy band of metastable structure under different shear strain conditions, and obtaining shear strain-energy band gap relationship, and (iv) controlling electrical conductivity of 2D/3D composite material by applying different shear strains according to shear strain-energy band gap relationship. USE - The method is useful for controlling electrical conductivity of two-dimensional/three-dimensional composite material e.g. graphene/diamond composite material by applying external shear strain. ADVANTAGE - The method: realizes control of the electrical conductivity of the two-dimensional/three-dimensional composite material; reveals the relationship between the applied shear strain and the electrical conductivity of the material; and provides theoretical and technical support for the design and preparation of advanced electrical materials.