Notestein Subproject for Energy Frontier Research Center for Inorganometallic Catalyst Design

Project: Research project

Description

Using atomic-layer deposition, new candidate catalytic clusters will be synthesized on metal-organic framework platforms and possibly other platforms.
Following synthesis, estimates of cluster size and composition will typically be made via analysis of quartz-crystal microbalance data and inductively coupled plasma measurements of specific metal content or ratios of mixed content for multiple metals.
Selected clusters will be examined for catalytic activity for gas phase reactions.
Cluster samples will also be prepared and provided to other team members for further characterization and/or catalytic testing.
We will perform detailed quantum chemical computational analysis of metal oxide clusters investigated by experimental members of the team. We will analyze reactions of interest on these clusters and seek to define appropriate descriptors for high-throughput computational screening candidate catalytic clusters.
We will perform high-throughput computational screening of metal-oxide clusters on MOF nodes and assemble information in a form compatible with inclusion in a searchable database.
StatusFinished
Effective start/end date8/1/147/31/19

Funding

  • University of Minnesota (A004527502//DE-SC0012702)
  • Department of Energy (A004527502//DE-SC0012702)

Fingerprint

Metals
Catalysts
Oxides
Screening
Throughput
Atomic layer deposition
Quartz crystal microbalances
Inductively coupled plasma
Catalyst activity
Gases
Testing
Chemical analysis