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An Investigation into the Interactions Between Self-Assembled Adenine Molecules and a Au(111) Surface by Ross E. A. Kelly; Wei Xu; Maya Lukas; Roberto Otero; Manuela Mura; Young-Joo Lee; Erik Lægsgaard; Ivan Stensgaard; Lev N. Kantorovich; Flemming Besenbacher is a Engineering article available to read on EtoBox.

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## Abstract Two molecular phases of the DNA base adenine (A) on a Au(111) surface are observed by using STM under ultrahigh‐vacuum conditions. One of these phases is reported for the first time. A systematic approach that considers all possible gas‐phase two‐dimensional arrangements of A molecules connected by double hydrogen bonds with each other and subsequent ab initio DFT calculations are used to characterize and identify the two phases. The influence of the gold surface on the structure of A assemblies is also discussed. DFT is found to predict a smooth corrugation potential of the gold surface that will enable A molecules to move freely across the surface at room temperature. This conclusion remains unchanged if van der Waals interaction between A and gold is also approximately taken into account. DFT calculations of the A pairs on the Au(111) surface show its negligible effect on the hydrogen bonding between the molecules. These results justify the gas‐phase analysis of possible assemblies on flat metal surfaces. Nevertheless, the fact that it is not the most stable gas‐phase monolayer that is actually observed on the gold surface indicates that the surface still plays a sub

Who reads An Investigation into the Interactions Between Self-Assembled Adenine Molecules and a Au(111) Surface?

Author

Ross E. A. Kelly; Wei Xu; Maya Lukas; Roberto Otero; Manuela Mura; Young-Joo Lee; Erik Lægsgaard; Ivan Stensgaard; Lev N. Kantorovich; Flemming Besenbacher

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); Wiley - V C H Verlag GmbbH & Co.; Publons; Wiley (ISSN 1613-6810)

Published

2008

Language

EN

Field

Engineering (Physical Sciences)