Where molybdenum dopants sit within catalytic material affects catalysis at a mechanistic level.

Simulations show that pH influences boehmite nanoparticle structure and sorption ability.

Researchers isolated a molecular copper hydride monomer for the first time.

A new simple and scalable synthesis produces nanoparticle assemblies that can perform catalytic hydrogen sensing at room temperature for the first time.

A study that combined experiments and theory showed how model enzymes control challenging reactions involving highly reactive carbocations.

By decreasing the amount of precious metal in a catalyst, the system increased its efficiency and selectivity for breaking apart plastics.

The buried interfaces between sections of a doped material can play a key role in the overall electronic properties of the system.

The size and concentration of ions influences the aggregation behavior of solutions of boehmite.

PNNL researchers developed a hybrid quantum-classical approach for coupled-cluster Green’s function theory that maintains accuracy while cutting computational costs.

PNNL researchers created a model that helps materials scientists not only predict what is, but what could be.

PNNL researchers design an artificial intelligence-guided electron microscope in a Laboratory Directed Research and Development study.

Researchers are studying the chemical reactions that occur when oxygen mixes into the surface of oxide materials.

Combining multiple experimental techniques allowed researchers to observe the early stages of oxidation in a model material.

The size of the alkali metal within the material influences the crystallization pathway.

Structural changes in heavy water occur at different temperatures than in standard water.

Providing a perspective on the importance of integrating experimental work with theory and simulations when designing new carbon capture solvents.

Combining advanced powder synthesis with solid state processing allows researchers to streamline oxide dispersion-strengthened steel fabrication.

Performing a network analysis of forces between particles reveals new insight into shear induced thinning and thickening in non-Newtonian fluids.

Ionic liquids bound to thin layers of graphene oxide produces more selective and efficient multi-layer membranes for water filtration.

IDREAM researchers show that high concentrations of sodium hydroxide significantly impact the molecular and macroscale properties of sodium nitrite solutions.