Zirconium-based cubic-perovskite materials for photocatalytic solar cell applications: a DFT study

Muhammad Khuram Shahzad, Syed Taqveem Mujtaba, Shoukat Hussain, Jalil Ur Rehman, Muhammad Umair Farooq, Muhammad Aslam Khan, Muhammad Bilal Tahir, Muhammad Mahmood Ali

RSC Advances · 2022 · 72 citations · 30 references

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Abstract

The structural, electronic, optical, and mechanical characteristics of cubic inorganic perovskites XZrO 3 (X = Rb and K) were studied using the Cambridge serial total energy package-based DFT.

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