Simulations show an amorphous intermediate that allows impurities to incorporate into crystallizing calcium carbonate.

A new review describes the insights that may be gained into important electrochemical processes using ion soft landing.

A crystalline silicate framework forms through a non-classical, multi-step nucleation mechanism based on structurally precise clusters.

PNNL researchers demonstrated a simple method to create stable, identical nanoparticles of PdTe2-like composition, which is known to be superconducting, on a WTe2 TMD support.

IDREAM research shows that keeping only the most important two- and three-body terms in reactive force fields can decrease computational cost by one order of magnitude, while preserving satisfactory accuracy.

Varying environmental conditions enabled researchers to quantitatively control the dissolution of metal oxide nanorods.

Across the United States, organic carbon concentration imposes a primary control on river sediment respiration, with additional influences from organic matter chemistry.

Metabolomics analysis revealed differences in metabolome profiles for two distinct modes of fungal wood decay.

The ChemSpace Tool, when fully developed, is intended to divide chemical space into three subsets: the detectable space, the identifiable space, and the region that includes compounds that are not detectable or identifiable.

A combined experimental and theoretical study identified multiple interactions that affect the performance of redox-active metal oxides for potential electrochemical separation and quantum computing applications.

Irradiated boehmite nanoplatelets form smaller aggregates and have a rougher surface than non-irradiated platelets.

Water affects the intermediates present on the surface of a metal oxide catalyst during ketonization.

First-of-its-kind genomic catalog lends insight into previously unknown processes at the river’s edge.

Combining peptoids and carbon nanotube porins creates a new class of stable membranes with potential applications in separations science.

PNNL researchers discovered a faster, more economical method to verify the amount of biofuel in mixtures of bio and fossil fuel.

A combined experimental and modeling study shows that electronic interactions direct how a metal-organic framework grows.

Hydrogen bonding and proton transfer control the identity and reactivity of molecules in highly concentrated and alkaline aluminate solutions.

Within zeolite pores, rates of alcohol dehydration increase with ionic strength until reaching a maximum and then decreasing.

A team from the Environmental Molecular Sciences Laboratory published research, demonstrating that the soil microbes were directly involved in the stabilization of soil organic carbon and mineral weathering.

The work by the team at PNNL takes a critical step in leveraging ML to accelerate advanced manufacturing R&D, specifically for manufacturing techniques without access to efficient, first-principles simulations.