Method for designing organic metal surface battery material

Abstract

The invention discloses a method for designing an organic metal surface battery material. Material Studio modeling software is used for establishing a model of an organic metal solar battery surface material, Vasp software is used for calculating the electronic structure property and the optical property of the surface material, and drawing tool origin software is used and combined with output files DOSCAR, EIGENVAL and OUTCAR to make graphs including the density of electronic states, the energy band structure, the absorption spectrum and the like of the surface material, clear the internal photoelectric conversion mechanism of the surface material and analyze and determine the characteristics of the optical property of the surface material so as to design the high-efficiency organic metal solar battery surface material. Through the method that the internal photoelectric conversion mechanism and the optical property of the organic metal solar battery surface material are calculated to design the high-efficiency solar energy battery surface material, a theoretical method is provided for the production design of the battery, and development periods and cost are effectively shortened and reduced.

Description

technical field [0001] The invention relates to a method for designing organic metal surface battery materials, belonging to the technical field of solar cells. Background technique [0002] In recent years, scientists have discovered in the latest research that the conversion efficiency of a perovskite-type organic solar cell may be as high as 50%, which is twice the conversion efficiency of solar cells currently on the market, which can greatly reduce the cost of solar cells. . Related research published in the latest issue of "Nature" magazine. At present, the most popular research field is perovskite-type methylamine-lead-iodine thin-film solar cells. In the five years from 2009 to 2014, the photoelectric conversion efficiency has jumped from 3.8% to 19.3%, which has increased by 5 times. The conversion efficiency of this metal-organic solar cell has improved so much, and it is cheaper and easier to produce than traditional silicon cells, that the journal Science named...

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Problems solved by technology

[0006] Due to CH 3 NH 3 SnI 3 The structure of solar cell materials is complex, containing five components, and the number of atoms is large. It is difficult to explain the internal photoelectric conversion mechanism of materials by experimental means, and it is also impossible to predict the advantages and disadvantages of optical properties of different surface materials. Many CH 3 NH 3 SnI 3 The question of battery surface materials remains unresolved

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