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

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

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.

The ability of a storm-resolving weather model to predict the growth of storms over central Argentina was evaluated with data from the Clouds, Aerosols, and Complex Terrain Interactions (CACTI) field campaign in central Argentina.

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.

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.

Atmospheric aerosol particles modulate climate and the Earth’s energy balance by scattering and absorbing sunlight. They also seed clouds, acting as cloud condensation nuclei.

Extensive in situ and remote sensing measurements were collected to address data gaps and better understand the interactions of convective clouds and the surrounding environment.

Isotopically layered water films and slow heating enable diffusion tracking.

Matt Fayette, a materials scientist, is testing a new method to extend battery life for grid storage by circulating the electrolyte.

PNNL's E-COMP initiative is helping unleash American energy innovation with advanced theories, models, and software tools to better operate power systems that rely heavily on high-speed power electronic control.

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.

CO2 separation is key for natural gas purification, but conventional techniques are high-emission processes. New research reveals a novel, doubly segmented, CO2-selective membrane that increases CO2 permeability and reduces emissions.