Method for designing organic metal surface battery material
An organic metal and battery material technology, applied in the field of solar cells, can solve the problems of difficult to explain the photoelectric conversion mechanism and complex structure, and achieve the effect of shortening the research and development cycle and cost
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[0034] The present invention will be further explained below in conjunction with the drawings.
[0035] The invention aims to provide a method for designing high-efficiency organic metal solar cell surface materials. By using Material Studio modeling software to build the surface material model of the organometallic solar cell, using Vasp software to calculate the electronic structure and optical properties of the surface material, and using the drawing tool origin software to combine the output files DOSCAR, EIGENVAL and OUTCAR to make the surface material Electronic density of states, energy band structure, absorption spectrum and other graphics, clarify CH 3 NH 3 SnI 3 The internal photoelectric conversion mechanism of the surface material is analyzed to determine the characteristics of its optical characteristics, so as to design a high-efficiency organic metal solar cell surface material.
[0036] The tools used are mainly Material Studio, Veata, Vasp, and origin software; the...
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