Chromium cations better adapt to changes in oxygen stoichiometry than iron cations.

Using interfacial charge transfer to control cation charges in oxide superlattices offers insights for designing functional heterostructures.

Pacific Northwest National Laboratory researchers developed a new theoretical method for studying highly correlated systems.

Calcium carbonate mineralization occurs through a multi-step process that begins with a dense liquid phase.

A newly funded project will develop the fundamental understanding of phenomena that underpin material properties important for quantum applications.

Fully identifying what controls nanocrystal assembly requires incorporating non-traditional forces into models.

Researchers investigated how stable nanoparticle suspensions form using facet engineering on hematite nanoparticles, demonstrating that controlling the faceting of nanoparticles can effectively maintain particle dispersity.

Combining X-ray-based techniques allows researchers to locate and characterize small concentrations of electrons in complex semiconductor films.

Elias Nakouzi brings 3D atomic force microcopy expertise to a project focused on understanding how hybrid bio-based nanomaterials assemble.

The pathway of oxygen ion movement can be controlled based on the initial structure and substrate of strontium iron oxide thin films.

The first study modeling the mechanism of hydrated electron formation from aqueous iodide.

Through collaboration with the Department of Homeland Security Soft Target Engineering to Neutralize the Threat Reality Center of Excellence, PNNL is advancing research and development of tools and methodologies to protect crowded places.

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.

PNNL and University of Texas at El Paso leverage partnership and joint appointment program for a laboratory directed research and development project.

Computational chemistry libraries from NWChem, NWChemEX, SPEC, and more are now available on Azure Quantum Elements.

PNNL’s ARENA test bed analyzes how electrical cables degrade in extreme environments and how nondestructive examination inspection technologies can detect and locate damage.

Research from PNNL and the University of Washington demonstrates the extension of the MBE for periodic systems and its use to decompose the lattice energies of different ice polymorphs.

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.

Advances in understanding the nature of the chemical bond are featured in this special issue of The Journal of Chemical Physics.

A combined experimental and computational approach showed that the hydration shell of hydroxide has a four-coordinate binding.