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New ChemComm paper available online

Don’t miss this new communication from the cross-RSC collection marking the International Year of Quantum Science and Technology!

“A practical computational protocol for photocatalytic reactions beyond ground-state approximations” by Mateusz Wlazło, William Goddard and Silvio Osella

In this OpenAccess communication, the authors present a new computational protocol for studying heterogeneous photocatalysts, in which excited states are explicitly considered in the Gibbs free energy diagrams. This is applied to prototypical H2O oxidation and O2 reduction reactions on a single-atom Co-embedded g-C3N4 cocatalyst.

Read the full communication here https://pubs.rsc.org/en/content/articlelanding/2026/cc/d5cc06211j