Aligning electronic and protonic energy levels in proton coupled electron transfer in water oxidatio

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Proton coupled electron transfer(PCET) is a key mechanism of redox reactions in many chemical and biological systems.It has been widely studied in homogeneous environments,while heterogenous PCET at interfaces have been less documented.In this talk,I will present our latest theoretical development of calculating the free energies of PCET reactions at interfaces.
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