A closed-loop workflow brings together digital and physical frameworks to advance high-throughput experimentation on redox-active molecules in flow batteries.

Imaging ice microstructures formed by water freezing with atomic resolution for the first time.

A comprehensive investigation provides quantitative data on the interaction between zeolite pores and linear alcohols, with hydroxyl group interactions playing the largest role.

Tailored assemblies mimic natural enzyme activity with significantly higher stability.

In high-entropy oxides, chromium tends to segregate during growth due to oxidation-induced migration of smaller, high-valence cations.

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

A new peptoid force field better predicts the cis/trans equilibrium of peptoids in multiple solvents.

Nanoscale domains of magnetically susceptible critical materials encounter enhanced magnetic interactions under external magnetic fields, providing a promising new avenue for separations.

A new approach combining computational processes enables the more accurate simulation of nuclear quantum effects in molecular systems.

This summer, PNNL hosted the inaugural “As Conductive As Copper” (AC2.0) workshop, fostering a collaborative conversation on the future of the U.S. copper supply chain.

The ruthenium metal support affects the formation and stability of graphitic and pyridinic nitrogen in doped graphene.

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

Researchers developed a way to precisely control dopant structures and locations in carbon-based materials.

The size of graphene oxide sheets affects the ability of assembled membranes and adsorbents to separate rare earth elements.

After isolating copper hydride monomers, researchers identified the mechanistic details of catalyst aggregation and cluster formation.

Trace amounts of iron and chromium can incorporate into gibbsite, affecting how the mineral dissolves.

Shear Assisted Processing and Extrusion (ShAPE) imparts significantly more deformation compared to conventional extrusion. The latest ShAPE system at PNNL, ShAPEshifter, is a purpose-built machine designed for maximum configurability.

More than 25,000 participants from industry, government, academia, and the public attended the event.

Properly identifying iodoplumbate species that are present and stable in a perovskite precursor solution is vital. New research offers insight into reactivity and dynamical processes in solution and the chemical properties of precursors.

A new time-dependent wavefunction formulation for the cumulant Green’s functions can produce more accurate simulations.