DFT atomistic thermodynamics applied to elucidate the driving force behind glutamic acid self-assemblies on silver (100) surface

Dominique Costa (Corresponding author), Marco Smerieri, Ionut Tranca, Letizia Savio, Luca Vattuone, Frederik Tielens (Corresponding author)

Onderzoeksoutput: Bijdrage aan tijdschriftTijdschriftartikelAcademicpeer review

8 Citaten (Scopus)

Samenvatting

What is the driving force behind the self-assembly of molecules on a surface? Why can different organizations of an assembly coexist under the same conditions? The coexistence of two experimentally observed complex phases of glutamic acid on Ag(100) is discussed using a detailed atomistic thermodynamics approach based on periodic DFT electronic energies. The interplay between bond formation and loss of degrees of freedom, corresponding to the enthalpy−entropy balance, is used to explain in detail and quantitatively the subtle equilibrium between the two differently organized self-assemblies.
Originele taal-2Engels
Pagina's (van-tot)29874-29879
Aantal pagina's6
TijdschriftJournal of Physical Chemistry C
Volume118
DOI's
StatusGepubliceerd - 26 nov 2014

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