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.

Scientists are reviewing the current science of the mechanism and structural dynamics of methyl coenzyme-M reductase, an enzyme involved in biological methane conversion.

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

Under an optical field, nanoparticle attachment in a model system heavily depends on surface roughness.

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

Neural networks techniques enable the efficient capture of electron correlation effects in reduced-dimensionality spaces.

Directionally biased electrostatic interactions are the key to significantly tuning the reduction potential of iron/sulfur clusters.

Developing a new scheme to more efficiently solve quantum chemistry problems.

The low-temperature breakdown of polyolefins is driven by carbenium ions generated from chloroaluminate ionic liquids.

Increasing concentrations of ions slows the rate of particle aggregation in boehmite suspensions.

A PNNL team has developed an energy- and chemical-efficient method of separating valuable critical minerals from dissolved solutions of rare earth element magnets.

The structure and exposed surfaces of hematite particles affect their growth and dissolution.

Surface manganese mining from nodules in South Dakota is now possible with a new scalable selective precipitation process.

PNNL chemical engineer Mariefel Olarte shares passion for mentoring students and the next-generation workforce.

PNNL Program Development Office Director Karl Mueller explains how the TEC4 project seeks to make advanced chemical computations accessible to all.

Electronic structure codes in a cloud environment can enable efficient computational chemistry simulations.

CACTUS provides AI-powered cheminformatics for autonomous science.

Molecular simulations highlight the key interactions between mineral surfaces and organic matter that lead to carbon stabilization in soils.