PNNL researchers capture molecular snapshots of energy conversion

A research team led by the Pacific Northwest National Laboratory (PNNL), in collaboration with SLAC National Accelerator Laboratory and various academic institutions, has captured molecular-level snapshots of coordinated energy transfers. The study, published in Nature Communications, focuses on the coupled movement of protons and electrons, a process essential to photosynthesis, catalysis, and biological energy conversion.

By utilizing advanced X-ray methods from the Linac Coherent Light Source at SLAC alongside quantum chemistry calculations and molecular dynamics simulations, researchers were able to observe how a molecule’s electronic structure, proton addition, and the surrounding water environment interact when triggered by light. This coordinated movement allows molecules to bypass energetically costly intermediate steps, making reactions faster and more efficient.

These findings provide unprecedented insight into highly efficient energy transfer processes. The research could assist in the future design of improved catalysts, fuel cells, and flow batteries.