A comprehensive understanding of the electronic structure of uranyl ions provides insight into the chemistry of nuclear waste and uranium separation technologies.

Researchers achieved the complete assignment of the infrared spectrum of a hydronium-water “magic number” cluster reported in Science in 2004.

PNNL researchers worked to decouple the effects that solvents impose on reactions catalyzed in the liquid phase.

New research finds that reaction rates for cyclic alcohol dehydration increase as ionic strength increases, independent of reaction mechanism.

New study elucidates the complex relaxation kinetics of supercooled water using a pulsed laser heating technique at previously inaccessible temperatures.

Local ionic strength within zeolite pores tailors the chemical potential of reacting molecules, leading to high cyclohexanol dehydration activity

Spectroscopic experiments reveal significant variations in the electronic structures of actinide tetrafluorides despite their nearly identical crystal structures.

Tetranuclear molybdenum sulfide clusters encaged in zeolites mimic the FeMo-cofactor of nitrogenase, offering a new opportunity for improving industrial hydrotreatment processes.

New research uncovers the mechanism of carbon dioxide reduction by metal-O-Fe bonds of single-metal atoms and metal nanoparticles supported by oxidic surfaces.

A new study connects microscopic molecular-level descriptions with properties of a liquid at the macroscopic scale.

Combining transition state theory with Marcus theory provides insight into the fundamental processes of proton transfer in water.

Characterizing the electron redistribution that allows the binding of molecular nitrogen to the catalytic core of nitrogenase.

A new approach uses CO₂ to favorably co-produce methanol and glycols in a simple one-pot reaction.

A nanosized metal catalyst directly bonded to a metal-organic framework is active in converting carbon dioxide to methanol.

Scientists at PNNL's Center for Molecular Electrocatalysis (CME) are working to understand the fundamental reactivity of H2 that could contribute to making hydrogen a more widely used fuel source.

Using a bio-inspired design that mimics nature's catalysts-enzymes, researchers at PNNL have designed a rarely seen reversible synthetic catalyst.

At PNNL, scientists have mapped the reaction that turns wind-generated electricity into fuel and the amount of energy needed for each step.

Dr. Morris Bullock and Dr. Monte Helm reviewed the catalysis research at the Center for Molecular Electrocatalysis, where Bullock is the director, in a recent article in Accounts of Chemical Research.

Generating power without gasoline, diesel, or coal could change our nation's energy and security landscape. However, replacing technologies that use fossil fuel with ones that require rare metals is unsustainable.

Making hydrogen economically demands a quick, efficient reaction. Creating that reaction demands a catalyst. CME scientists found that a proton and water-packed environment lets the catalyst work 50 times faster—without added energy.