Catalysts that efficiently transfer hydrogen for storage in organic hydrogen carriers are key for more sustainable generation and use of hydrogen. New research identifies activity descriptors that can accelerate novel catalyst development.

PNNL is one of the founding partners of the Trillion Parameter Consortium, which was formed to create reliable generative AI models.

1-propanol converts from a monomer into a trimer at aluminum sites within zeolite pores.

Leaders from the DOE Office of Energy Efficiency and Renewable Energy visited PNNL October 19–20 for a firsthand look at capabilities and research progress.

Studying single crystal reactions provides molecular-level insight into catalytic processes.

Highly precise and controllable single-atom catalysts are affected by reaction conditions, which can alter the bonding around the atoms and the activity.

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

Newly developed models can help rapidly optimize systems to meet the need for rapidly deployable commercial carbon capture.

A PNNL-developed computational framework accurately predicts the thermomechanical history and microstructure evolution of materials designed using solid phase processing, allowing scientists to custom design metals with desired properties.

A new system can convert common plastics into valuable fuel molecules.

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

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.

In a water-containing system, the open circuit potential stabilizes positively charged species and lowers the energy barrier of the reaction.

Research published in Journal of Manufacturing Processes demonstrates innovative single-step method to manufacture oxide dispersion strengthened copper materials from powder.

A new deep learning approach allows researchers to rapidly analyze three-dimensional representations of multi-component catalysts.

Using electrocatalysis offers a different path for reactions involving polar groups.

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

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

A process developed at PNNL that converts biomass and waste into a chemical intermediate or into gasoline, diesel, and jet fuel is available for commercial licensing.

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