Structure of enantiopure and racemic alanine adlayers on Cu(110)

Plane wave density functional theory has been employed to analyze the structure of alanine adlayers on the Cu(110) surface. Alanine forms (3 x 2) adlayers on Cu(110) that are closely related to the structures of glycine on the same surface. There is essentially no energy difference between the most stable racemic and enantiopure alanine adlayers. This observation implies that adsorption of racemic alanine on Cu(110) will result in a pseudoracemate adlayer. (C) 2004 Elsevier B.V. All rights reserved.