band gap prediction

What is Band Gap and Why is it Important in Catalysis?

The band gap is the energy difference between the valence band and the conduction band in a material. It is a crucial parameter in determining the electronic properties of a material. In catalysis, especially in photocatalysis and electrocatalysis, the band gap determines the ability of a material to absorb light and participate in electron transfer processes. A suitable band gap can enhance the efficiency of a catalyst by allowing it to harness more of the solar spectrum or facilitate specific redox reactions.

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