First principles study on the influence of defects on the photoelectric properties of single-layer WSe2 structure
Tungsten tungsten(WSe2)has many excellent performance,and has excellent potential in the appli-cation of spin electronics and optoelectronics.Studying the electronic structure of defect WSe2 helps to under-stand the effects of loading and scattering.It is of great significance in the application of electron and optoelec-tric computers.Based on the theory of density general letters,this article has studied the effects of five points of defects on the electronic structure and optical nature of WSe2.Studies have found that after analysis defects with differences,the control capabilities of the single-layer WSe2 are strong,and some defect models enhance the conductivity of the material.The optical properties of the material after the introduction of defects have changed significantly.Compared with the structure of this sign,the absorption edges have red shifts,which has a stron-ger long wave absorption ability.These theoretical results show that the introduction of defects can indeed regu-late the electronic structure and optical properties of WSe2,which provides theoretical support in the transport electronics and photonology of two-dimensional carrier.
first principleWSe2defectsphotoelectric properties
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