Switching a pendant nitrogen to phosphorous leads to an accelerated rate of carbon dioxide hydrogenation to methanol.

Ketene generated from surface acetate can desorb, migrate through interparticle voids, and react on titanium dioxide nanoparticles to form acetone.

A new algorithmic approach breaks apart large quantum problems into smaller subproblems, enabling quantum simulation of more complex systems.

Researchers discovered that frustrated electric forces drive a novel precipitation pathway called microphase separation and identified a precursor intermediate state of ordered ion networks.

Titanium dioxide surface structure exhibits water inhibition by forming distinct water–alkanol complexes.

Separating quantum circuit wiring from molecular data allows researchers to more efficiently perform quantum simulations

Yong Wang’s joint appointment connects PNNL, WSU, and the next generation of scientists.

Demonstrated that cathodic potential accelerates aqueous phase benzaldehyde hydrogenation.

Amine functionalized graphene oxide yields laminates with an enhanced capacity to adsorb rare earth elements, improved water transport, and greater stability for effective membrane-based separation of critical minerals.

Establishing how electronic redistribution, protonation, and solvent rearrangement are coupled during a proton-coupled electron transfer process.

By selectively stabilizing either a right- or left-handed helical pose of its substrate, an enzyme tunes the final product.

Research provided definitive spectroscopic characterization, reactivity, and deactivation of a reactive monomeric diphosphine-copper hydride intermediate.

New software enables the study of nuclear quantum effects in large, condensed phase systems up to 10× faster than traditional methods.

Protein and water environments set the overall redox scale of iron-sulfur clusters, but local coordination geometry fine-tunes the final potential.

Developed a method for selectively anchoring diverse divalent metal cations in zeolites, important for precise control over catalytic materials.

New theoretical framings of quantum dynamics enable better quantum-based simulation of molecular systems and dynamics.

Developed a simple kinetic framework for evaluating catalyst hydride transfer ability.

PNNL has formed a partnership with the Orlando-based firm Refinity, which has licensed a key process from PNNL that will help the company convert mixed plastic waste into valuable industrial products like chemicals, plastics, and fuels.

Chiral nanotubes facilitate the direction-specific diffusion of carbon dioxide to be faster than nitrogen gas.

A suite of new modeling methods gives researchers better tools to predict molecular behavior inside cavities.