Montecarlo Simulation and HAXPES Analysis of Organosilane Segregation in Titania Xerogel Films; Towards a Generic Surface Chemofunctionalization Process

Montecarlo Simulation and HAXPES Analysis of Organosilane Segregation in Titania Xerogel Films; Towards a Generic Surface Chemofunctionalization Process

The formation of xerogels implies a sequence of hydrolysis and condensation reactions, which are intricate to analyze in heteromolecular sols. We analyze by probabilistic Montecarlo methods the development of hybrid organosilane–titania xerogels and illustrate how partial charges of the reacting mol...

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Bibliographic Details
Main Authors: Javier Mateo Moreno, Rodrigo Calvo Membibre, Sergio Pinilla Yanguas, Juan Rubio Zuazo, Miguel Manso Siván
Format: Article
Language:English
Published: MDPI AG 2020-07-01
Series:Surfaces
Subjects:
sol–gel
heteromolecular xerogels
alkoxide
organosilane
condensation reactions
kinetic demixing
Online Access:https://www.mdpi.com/2571-9637/3/3/26

Internet

https://www.mdpi.com/2571-9637/3/3/26

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