Dear Khattra Mimouni

First, you should find experimental identified and reliable physical properties of CdZnTe and perovskite. Differences of simulation of solar cells from other semiconductor devices is optics. So, for calculating optical generation, you should use complex refractive indices data of materials and TMM or Ray Tracing methods. In refractiveindex.info and pvlighthouse, there are many complex refractive indices data of materials. Other main properties especially well know are band gap energy, electron affinity, permittivity, recombination coefficients,electron holes mobility, DOS, effective masses and ionization energy of doping atoms. They can be found from articles and books not single sources. You simulation results will be strongly depended on physical properties of materials.

After collecting material properties, you can simulate it as simple solar cells. I am not user of Silvaco TCAD. I use for simulation from Sentaurus TCAD. In Sentaurus TCAD I simulated perovskite based heterojunction solar cells. For that I used heterointerface keyword. Besides, in simulation of perovskite, you must be careful in using perovskite properties. Because there are three crystal structure in perovskites: cubic tetragonal and orthohombic. So, perovskites have phase transition. Phase transition depend on temperature and physical properties of perovskites depend on their crystal structure. So you should choose proerties of perovskite with crystall structure suitable to you simulation temperature.

If you have other question about simulation of perovskite based solar cells you can contact me.

Sincerely Jasurbek Gulomov

you can define the new materials which is not in the Silvaco library. it should be noted that, you must find the characteristics of your material, and then, you can add this parameters into the Silvaco.

Jasurbek Gulomov introduce good discussion

Dear Khattra Mimouni ,

The colleagues above gave important notes to start simulation.

I would like to add some key notes:

- At first you have to dene you physical structure of the solar cell.

Here you want to build a solar cell from CdZnTe and perovskites. Perovskites are normally intrinsic material that may need HTL and ETL to work as a solar cell.

Then you need one transparent conductive layer such ITO. and a metal such as aluminum, silver of gold.

As a matter of continuing the existing research on perovskite solar cells you may substitute the ETL by the CdZnTe. In this case it must be heavily doped n-typ. Also you have to choose the right mixing ratio between Cd and Zn to get a suitable bandgap and energy level matching.

The other possible structure is that one can dope the perovskite p-type and use only n-p heterojunction. Then you will not need HTL.

As for the input simulation file there are many published tutorials and examples for solving solar cells using SILVBACO. For such simulation please refer to the book chapter:Chapter Solar cells and arrays: Principles, analysis and design

It contains a section about modelling solar cells by SILVACO.

Best wishes