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.

The first direct molecular-scale evidence of the temperature-driven transformation of the coordination environment of ytterbium at geologically relevant conditions.

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.

This study used historical data, remote sensing, and aquatic sensors to measure how far wildfire impacts propagated through the watershed after the 2022 Hermit’s Peak/Calf Canyon fire, New Mexico’s largest wildfire in history.

The Coastal Observations, Mechanisms, and Predictions Across Systems and Scales: Field, Measurements, and Experiments project established a network of observational field sites across Chesapeake Bay and western Lake Erie.