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

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.

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

Researchers at PNNL have developed an interpretable, lightweight AI model that can easily predict weld microstructure features using only basic machine sensor inputs.

Replacing commercial acid with acidic waste enables researchers to improve nickel extraction efficiency, lower projected costs, and improve process economics.

Localized gradients in magnetic fields have long-range effects on the concentration of rare earth ions in solution, facilitating field-driven extraction of critical minerals.

Studying a series of rare earth element compounds revealed differences in their magnetic behavior that will be leveraged for separations.

Scientists provide a guide for the rational application of continuum descriptions of fluid flows based on interfacial chemistry.

Soil mineral preferentially incorporates rare earth elements based on size, with implications for critical mineral extraction.

Delivering an integrated quantum-mechanical and experimental perspective on the effects of both intrinsic and externally applied electric fields at atomic-scale interfaces.

Isotopically layered water films and slow heating enable diffusion tracking.

A team combined experiments and theory to predict the collective properties of electrolyte solutions.

The first measurement of the proton diffusion constant at cryogenic temperatures provides insights into the mechanism of proton movement in supercooled water.

Pacific Northwest National Laboratory researchers developed a new theoretical method for studying highly correlated systems.

Researchers investigated how stable nanoparticle suspensions form using facet engineering on hematite nanoparticles, demonstrating that controlling the faceting of nanoparticles can effectively maintain particle dispersity.

The first study modeling the mechanism of hydrated electron formation from aqueous iodide.

Through collaboration with the Department of Homeland Security Soft Target Engineering to Neutralize the Threat Reality Center of Excellence, PNNL is advancing research and development of tools and methodologies to protect crowded places.

PNNL and University of Texas at El Paso leverage partnership and joint appointment program for a laboratory directed research and development project.

Computational chemistry libraries from NWChem, NWChemEX, SPEC, and more are now available on Azure Quantum Elements.

PNNL’s ARENA test bed analyzes how electrical cables degrade in extreme environments and how nondestructive examination inspection technologies can detect and locate damage.