Design and Discovery of Multimetallic Heterogeneous Catalysts for a Future Biorefining Industry

Project Personnel

Andreas Heyden

Principal Investigator

University of South Carolina, Columbia

Email

Gabriel Terejanu

University of South Carolina, Columbia

Email

Salai Ammal

University of South Carolina, Columbia

Email

Jesse Bond

Syracuse University

Email

Funding Divisions

Division of Chemical, Bioengineering, Environmental, and Transport Systems (CBET), Division of Chemistry (CHE)

Our objective is to establish a new, multidisciplinary research approach based on deep integration of computation, data informatics, and experimentation for the rapid design and discovery of novel, multimetallic heterogeneous catalysts with exceptional activity, selectivity, and stability in aqueous-phase, biorefining applications. Our central hypothesis is that the discovery and design of such materials require (1) rapid, in silico screening of catalytic materials in aqueous phases, (2) the ability to synthesize, characterize and evaluate catalysts that have and retain well-defined active sites in aqueous media, and (3) systematic procedures for correlation and reconciliation of computational insights with experimental observations. 

Research Highlights