• Communication dans un congrès

Fossilisation expérimentale : interactions minéral-organique

Pierre Jacquemot, Sylvain Bernard, Thomas Georgelin, Jean‐christophe Viennet, Maguy Jaber

Journée du DIM Matériaux anciens et patrimoniaux : Développements méthodologiques en taphonomie, DIM Matériaux anciens et patrimoniaux, Oct 2018, Paris, France. ⟨hal-03969897⟩

• Article dans une revue

Towards metal free supported quaternary ammonium halides catalysts for an optimized cycloaddition of CO 2 onto styrene oxide

Miguel Alonso de La Peña, Matthieu Balas, Julie Kong, Richard Villanneau, Lorraine Christ, A. Tuel, Franck Launay

The present work reports on a large selection of porous siliceous materials functionalised by quaternary ammonium salts (QAS) with various pores structures, possible doping with Zn2+, and different ammonium salt substituents as well as halide counter-ions. After characterization by TGA, N2…

Catalysis science and Technology, 2024, 14 (5), pp.1305-1317. ⟨10.1039/d3cy01551c⟩. ⟨hal-04562849⟩

• Article dans une revue

Ready-to-be-addressed oxo-clusters: individualized, periodically organized and separated from the substrate

Juba Salhi, Jan Patrick Calupitan, Michele Mattera, David Montero, Antoine Miche, Régina Maruchenko, Anna Proust, Guillaume Izzet, David Kreher, Imad Arfaoui, Florence Volatron

The first periodically organized individual polyoxometalates: from long-scale range to single-molecule level characterizations.

Nanoscale, 2023, 32, ⟨10.1039/d3nr02649c⟩. ⟨hal-04180597⟩

• Article dans une revue

Exploring the Reactivity of Framework Vanadium, Niobium, and Tantalum Sites in Zeolitic Materials Using DFT Reactivity Descriptors

Frederik Tielens

The acid-base properties of zeolites with group 5 transition metal framework sites are investigated, and a first step into the understanding of their acid/base and redox properties is undertaken using DFT reactivity descriptors. It is evidenced, using socialite as model system, that zeolites with…

Journal of Computational Chemistry, 2009, 30 (12), pp.1946-1951. ⟨10.1002/jcc.21192⟩. ⟨hal-01361363⟩

• Article dans une revue

Cation distributions on CoAl2O4 and Co2AlO4 spinels: pressure and temperature effects

R. Franco, Frederik Tielens, M. Calatayud, J. M. Recio

Structural, energetic and thermodynamic properties of CoAl2O4 and Co2AlO4 spinels are investigated using the density functional theory formalism. Thermal effects are incorporated by means of a non-empirical quasi-harmonic Debye-like model that allows us to study the influence of temperature on the…

High Pressure Research, 2008, 28 (4), pp.521-524. ⟨10.1080/08957950802489577⟩. ⟨hal-01361367⟩

• Communication dans un congrès

Glycine Interaction with Geminal and Vicinal Silanols

D. Costa, Frederik Tielens, L. Stievano, J-F. Lambert

A periodic DFT study of the adsorption of glycine on an amorphous silica surface is presented. It is shown that glycine adsorbs via a specific interaction with the geminal silanols. Geminal silanols are the most reactive sites for glycine adsorption and the adsorption on these sites is irreversible…

THEORY AND APPLICATIONS OF COMPUTATIONAL CHEMISTRY - 2008, 2009, Unknown, Unknown Region. pp.251-256. ⟨hal-01361359⟩

• Thèse

Bio-inspired calcium phosphate mineralization through enzymatic approach, Minéralisation de phosphate de calcium d'inspiration biologique par approche enzymatique

Jihye Lee

Biomineralization of calcium phosphate (CaP) is the process by which some organism builds hard mineralized tissues, such as bone, enamel and calcified cartilage. This process is regulated through various physicochemical factors and biochemical reactions, involving particularly matrix vesicles (MVs…, La biominéralisation du phosphate de calcium (CaP) est le processus par lequel un organisme construit des tissus minéralisés durs, tels que l'os, l'émail et le cartilage calcifié. Ce processus est régulé par divers facteurs physico-chimiques et réactions biochimiques, impliquant en…

Inorganic chemistry. Sorbonne Université, 2023. English. ⟨NNT : 2023SORUS444⟩. ⟨tel-04404817⟩

• Article dans une revue

Self-Assembly of Fatty Acids on Hydroxylated Al Surface and Effects of Their Stability on Wettability and Nanoscale Organization

Irma Liascukiene, Marie Steffenhagen, Svajus J. Asadauskas, Jean-François Lambert, Jessem Landoulsi

The self-assembly of fatty acids (FA) on the surfaces of inorganic materials is a relevant way to control their wetting properties. While the mechanism of adsorption on model flat substrate is well described in the literature, interfacial processes remain poorly documented on nanostructured…

Langmuir, 2014, 30 (20), pp.5797-5807. ⟨10.1021/la404756y⟩. ⟨hal-01121646⟩

• Article dans une revue

A co-templating route to the synthesis of Cu SAPO STA-7, giving an active catalyst for the selective catalytic reduction of NO

A. Lorena Picone, Stewart J Warrender, Alexandra M Slawin, Daniel M Dawson, Sharon E Ashbrook, Paul A Wright, Stephen P Thompson, Lucia Gaberova, Philip L Llewellyn, Beatrice Moulin, Alexandre Vimont, Marco Daturi, Min Bum Park, Sam Kyung Sung, In-Sik Nam, Suk Bong Hong

Copper cyclam (cyclam = 1,4,8,11-tetraazacyclotetradecane) and tetraethylammonium (TEA(+)) act as co-templates for the hydrothermal crystallisation of the silicoaluminophosphate SAPO STA-7, as determined by UV-visible, ESR and solid-state MAS NMR spectroscopies, powder and single crystal X-ray…

Microporous and Mesoporous Materials, 2011, 146 (1-3), pp.36--47. ⟨hal-01840383⟩

• Communication dans un congrès

Comparative study of natural gas vehicles commercial catalysts in monolith form: on the effect of gas composition and catalyst formulation

Marc Salaün, Sandra Capela, Anita Kouakou, Stéphanie da Costa, Pascal Granger, Patrick da Costa

GDRI "Catalysis for Environment", Sep 2008, Zakopane, Poland. pp.127-129. ⟨hal-00324519⟩