Theoretical Design by First Principles Molecular Dynamics of a Bioinspired Electrode-Catalyst System for

Federico Zipoli1, Roberto Car1, Morrel H Cohen1

  • 1Department of Chemistry and Princeton Institute for the Science and Technology of Materials, Princeton University, Princeton, New Jersey 08544, and Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854.

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