NDLI: Self-assembly of glycine on Cu(001): the effect of temperature and polarity

Content Provider	Royal Society of Chemistry (RSC)
Author	Wang, Enge Xu, Jing Wang, Jian-Tao Lin, Zheshuai Meng, Sheng Xu, Lifang
Copyright Year	2017
Abstract	Self-assembly (SA) of molecules on solid surfaces has attracted enormous attention in terms of fundamental interest and a variety of applications. Here glycine on Cu(001) is studied as an example to illustrate the critical role of finite temperature and molecular polarity in the SA of biomolecules at a metal surface. We clarify that the SA structure of a glycine monolayer on Cu(001) is thermodynamically stable as determined by the lowest energy at room temperature, and a p(2 × 4) structure is identified to be the most stable through ab initio molecular dynamics simulations. This unique p(2 × 4) structure is derived based on a full polarity compensation mechanism, and its STM images and anisotropic free-electron-like dispersion are in excellent agreement with experiments. Moreover, the rich self-assembling patterns including the heterochiral and homochiral phases, and their inter-relationships are found to be entirely governed by the same polarity compensation mechanism.
Starting Page	4116
Ending Page	4123
Page Count	8
File Format	HTM / HTML PDF
ISSN	20462069
Volume Number	7
Issue Number	7
Journal	RSC Advances
DOI	10.1039/c6ra26548k
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	Critical Role Anisotropy Molecular dynamics Glycine London dispersion force Ab initio quantum chemistry methods
Content Type	Text
Resource Type	Article
Subject	Chemistry Chemical Engineering

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