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Analysis of institutional authors

Pinilla Yanguas, SergioAuthorManso Siván, MiguelAuthor

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November 23, 2021
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Montecarlo Simulation and HAXPES Analysis of Organosilane Segregation in Titania Xerogel Films; Towards a Generic Surface Chemofunctionalization Process

Publicated to:SURFACES. 3 (3): 352-365 - 2020-01-01 3(3), DOI: 10.3390/surfaces3030026

Authors: Javier Mateo Moreno; Rodrigo Calvo; Sergio Pinilla; Juan Rubio‐Zuazo; Miguel Manso‐Silván

Affiliations

European Synchrotron Radiation Facility - Author
Instituto de Ciencia de Materiales de Madrid - Author
Universidad Autónoma de Madrid - Author

Abstract

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 molecules can help estimating relative probabilities for the condensation of the molecules. Since the condensation rate of Ti alkoxides is much higher than the corresponding rate of Si alkoxides (especially if bearing a non-hydrolizable group), by imposing a fast condensation process in agreement with low pH kinetics, the process leads to a surface segregation of the organosilane. The simulation results are compared with results of characterization of thin condensates of two different organosilanes within a titanium–isopropoxide matrix. Non-destructive in-depth profiles were obtained by hard x-ray photoelectron spectroscopy, which can resolve through estimation of Si and specific moieties of the organosilane molecules the progress of the condensation. These results are relevant for the generalization of chemo-functionalization processes by kinetic demixing of organosilanes, which have myriad applications in biomedicine and biotechnology.

Keywords

Chemistry (miscellaneous)Chemistry, physicalMaterials science (miscellaneous)Materials science, multidisciplinarySurfaces and interfacesSurfaces, coatings and films

Quality index

Bibliometric impact. Analysis of the contribution and dissemination channel

The work has been published in the journal SURFACES, Q4 Agency Scopus (SJR), its regional focus and specialization in Surfaces, Coatings and Films, give it significant recognition in a specific niche of scientific knowledge at an international level.

Independientemente del impacto esperado determinado por el canal de difusión, es importante destacar el impacto real observado de la propia aportación.

Según las diferentes agencias de indexación, el número de citas acumuladas por esta publicación hasta la fecha 2025-08-14:

  • WoS: 1

Impact and social visibility

From the perspective of influence or social adoption, and based on metrics associated with mentions and interactions provided by agencies specializing in calculating the so-called "Alternative or Social Metrics," we can highlight as of 2025-08-14:

  • The use of this contribution in bookmarks, code forks, additions to favorite lists for recurrent reading, as well as general views, indicates that someone is using the publication as a basis for their current work. This may be a notable indicator of future more formal and academic citations. This claim is supported by the result of the "Capture" indicator, which yields a total of: 6 (PlumX).

It is essential to present evidence supporting full alignment with institutional principles and guidelines on Open Science and the Conservation and Dissemination of Intellectual Heritage. A clear example of this is:

  • The work has been submitted to a journal whose editorial policy allows open Open Access publication.

Leadership analysis of institutional authors

There is a significant leadership presence as some of the institution’s authors appear as the first or last signer, detailed as follows: First Author (Mateo Moreno, Javier) and Last Author (MANSO SILVAN, MIGUEL).