Design and Testing of Nanoalloy Catalysts in 3D Atomic Resolution

Project Personnel

Hendrik Heinz

Principal Investigator

University of Colorado, Boulder

Email

Yu Huang

University of California, Los Angeles

Email

Jianwei Miao

University of California, Los Angeles

Email

Funding Divisions

Division of Materials Research (DMR), Division of Chemical, Bioengineering, Environmental, and Transport Systems (CBET), Office of Multidisciplinary Activities (OMA)

Related Software Innovation Tool: The Materials Data Bank (MDB) archives the 3D coordinates and chemical species of individual atoms in materials without assuming crystallinity determined by atomic electron tomography. The databank is designed to provide useful resources for research and education in studying the 3D atomic arrangements and associated material properties arising from non-crystalline structures, such as point defects, dislocations, grain boundaries, stacking faults and disorders. 

Research Highlights

Interpretable Molecular Models for MoS2
Miao J, Huang Y, Heinz H