(723h) DFT Calculations of Adlayer Structure of Tryptophan on Cu(111)

Authors: 
Rankin, R. B., Villanova University

In this work, we present results of DFT calculations to characterize the structure of moderate to high coverage adlayers

of the amino acid tryptophan on Cu(111) surfaces.  This work characterizes the differences in structure between chiral enantiomeric

mixture dosings of the tryptophan on Cu(111).  Because tryptophan has a large steric R-group, the 'universally' accepted assumption

of tridentate bonding surface bonding motifs may not be valid in this system; our results help elucidate the truth of this assumption for this (and possibly other related) systems.