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.
A new book edited by PNNL's Dr. Morris Bullock summarizes the progress and challenges of designing catalysts from less expensive, more abundant metals.
PNNL will be home to a new multi-million-dollar Energy Frontier Research Center announced this week by the White House in conjunction with a speech delivered by President Obama at the annual meeting of the National Academy of Sciences.