Hello all,
Can anyone help me with how one calculates the p-band center and what is the significance of it. For photocatalysis applications it is observed that p-band theory is helpful in explaining the behavior of catalyst.
Dear Radha N Somaiya ,
You could see the next papers:
Article Assessing Correlations of Perovskite Catalytic Performance w...
Article Band-Gap Energy as a Descriptor of Catalytic Activity for Pr...
Best,
Fran
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