Unraveling the dynamics and structure of functionalized self-assembled monolayers on gold using 2D IR spectroscopy and MD simulations
Abstract
Self-assembled monolayers (SAMs) are a form of nanotechnology that enables the functionalization of surfaces with single layers of chemically designed structures having tuned properties. In contrast to the characterization of time-average static structures, it is challenging to measure the dynamic behavior of SAMs on the timescales of molecular motions, i.e. picoseconds. Here we combine 2D IR spectroscopy and molecular dynamics (MD) simulations to investigate alkyl chain monolayers functionalized with a head group. The dynamics reported by the head group are induced by the alkyl chain motions. For example, it was determined that SAMs with higher alkyl chain gauche defect content have faster dynamics caused by more frequent chain conformational fluctuations.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Apr 01, 2016
- Source ID
- 10.1073/pnas.1603080113
Entities
People
- Chang Yan
- Jun Nishida
- Lu Wang
- Michael D. Fayer
- Rongfeng Yuan
- Thomas E. Markland
- William C. Pfalzgraff
Organizations
- Air Force Office of Scientific Research
- Stanford University
- United States Department of Energy