Scientists at PNNL's Center for Molecular Electrocatalysis and Villanova University designed a nickel-based complex that more than doubled previously reported hydrogen gas production rates and increased the energy efficiency of the reaction

To design catalysts for fuel cells and other devices, design their ligands to facilitate the movement of protons, according to Dr. Daniel DuBois and Dr. Morris Bullock at PNNL.

In an invited review article in the MRS Bulletin, scientists from the Center for Molecular Electrocatalysis discuss the role and need to control proton movement in potential solar devices.

PNNL researchers have benchmarked a number of commonly used density functional theory (DFT) and electron-correlated molecular orbital theories in their ability to describe the free energy profile for H2 oxidation/evolution

New results reported in Chemical Communications describe the synthesis, structure, and catalytic reactivity of a nickel complex that is the fastest molecular electrocatalyst for oxidation of hydrogen.