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.

From studying the multisector ripple effects of extreme events to exploring the chemical reactions that underlie life on Earth, two up-and-coming PNNL scientists were recognized for their scientific vision and prowess.

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

Scientists uncovered the molecular basis of nitric acid speciation across dilute and concentrated solutions and identified competing hydration-shell rearrangements around lanthanide ions at the dilute limit.

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.

Using multiple specialized techniques, IDREAM researchers gained a better understanding of how trace impurities within gibbsite affect the hydrogen yield.

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

The availability of non-f electrons drives the reaction energies of actinide hydrides.

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.