To know if Pb can be substituted by less toxic Mg without reducing the photovoltaic efficiency of the methyl-ammonium lead iodide perovskites, the microscopic contributions to the absorption coefficients and efficiencies are analyzed as a function of the gradual substitution of Pb by Mg. The absorption coefficients are obtained from first principles and used later to obtain efficiencies. To identify and quantify the most important contributions to the photovoltaic properties as a function of cell thickness, both the absorption coefficients and efficiencies are split as an exact many-species expansion. From these results, the substitution of Pb by Mn would lead to solar cells with similar photovoltaics characteristics, except if the solar cells are ultra-thin.
To know if Pb can be substituted by less toxic Mg without reducing the photovoltaic efficiency of the methyl-ammonium lead iodide perovskites, the microscopic contributions to the absorption coefficients and efficiencies are analyzed as a function of the gradual substitution of Pb by Mg. The absorption coefficients are obtained from first principles and used later to obtain efficiencies. To identify and quantify the most important contributions to the photovoltaic properties as a function of cell thickness, both the absorption coefficients and efficiencies are split as an exact many-species expansion. From these results, the substitution of Pb by Mn would lead to solar cells with similar photovoltaics characteristics, except if the solar cells are ultra-thin. Read More
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