Dresden 2020 – scientific programme
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O: Fachverband Oberflächenphysik
O 73: Organic Molecules on Inorganic Substrates V: Adsorption, Growth and Networks
O 73.6: Talk
Wednesday, March 18, 2020, 16:30–16:45, TRE Phy
Pentamers-like molecules forming a self-assembled monolayer onto a FCC(111) surface: a theoretical study — •Eduardo Cisternas1,2, Gonzalo dos Santos3, Marcos Flores2,4, Eugenio Vogel1,5, and Antonio Ramírez-Pastor6 — 1Universidad de La Frontera, Temuco, Chile — 2Millenium Nucleus MultiMat — 3Universidad de Mendoza, CONICET Mendoza, Argentina — 4Universidad de Chile, Santiago, Chile — 5Center for the Development of Nanoscience and Nanotechnology (CEDENNA), Santiago, Chile — 6Universidad Nacional de San Luis, CONICET San Luis, Argentina
In the aim to understand the formation of a self-assembled monolayer when 2-thiophene molecules are adsorbed on a Au(111) surface, we studied the deposition of rigid straight pentamers onto a FCC(111) surface. Thus, by combining density functional theory calculations and Monte Carlo simulations we have found that for a certain value of the chemical potential there exists an isotropic-nematic phase transition which can explain the formation of a self-assembled monolayer. An order parameter is defined to characterize the transition which presents a step-like behavior at a critical chemical potential value. The possible nature of the nematic transition is discussed as future work by means of statistical physics techniques.