• Article dans une revue

Characterization of Two-Dimensional Chiral Self-Assemblies L- and D-Methionine on Au(111).

Vincent Humblot, Frederik Tielens, Noelia B. Luque, Harout Hampartsoumian, Christophe Méthivier, Claire-Marie Pradier

Langmuir, 2014, 30 (1), pp.203-212. ⟨10.1021/la404262m⟩. ⟨hal-01121198⟩

• 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⟩

• 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⟩

• 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⟩

• Thèse

Synthèse et caractérisation de revêtements à base de polydopamine (PDA) renfermant des fonction N-halamine conférant des propriétés antibactériennes, Synthesis and characterization of coatings based on polydopamine (PDA) containing N-halamine functions conferring antibacterial properties

Nadia Nazi

La lutte contre l’adhérence et la prolifération de bactéries sur les surfaces constitue une préoccupation constante et un enjeu médical et socio-économique majeur de notre société. Cette biocontamination est responsable de nombreuses infections entraîne également une détérioration des propriétés…, The fight against the adhesion and proliferation of bacteria on surfaces is a constant concern and a major medical and socio-economic issue for our society. This biocontamination is responsible for many infections, also leading to a deterioration of the structural and functional properties of…

Autre. Sorbonne Université, 2020. Français. ⟨NNT : 2020SORUS398⟩. ⟨tel-03580625⟩

• Article dans une revue

Influence of partial dealumination of BEA zeolites on physicochemical and catalytic properties of AgAlSiBEA in H2-promoted SCR of NO with ethanol

Nataliia O. Popovych, Pavlo I. Kyriienko, Sergiy O. Soloviev, Svitlana M. Orlyk, Stanislaw Dzwigaj

The two-step postsynthesis method allows obtaining AlSiBEA zeolites with different degree of dealumination (Si/Al = 100 and 200). Physicochemical properties (crystallinity, hydroxyl group coverage, acidic sites and nature of silver species) of AlSiBEA and AgAlSiBEA were investigated by XRD, DR UV–…

Microporous and Mesoporous Materials, 2016, 226, pp.10-18. ⟨10.1016/j.micromeso.2015.12.031⟩. ⟨hal-01259919⟩

• Article dans une revue

Deciphering the improvement in (H2-)C3H6-SCR performance of Ag/Al2O3 catalysts prepared from warm-water-treated alumina: A NMR-assisted identification of the Ag anchoring sites of the alumina support

Yannick Millot, Guylène Costentin, Clémence Rodigue, Thomas Onfroy, Cyril Thomas

Lean exhausts aftertreatment has been the subject of numerous investigations due to ever stringent regulations on pollutants emissions such as that of NOx. Among aftertreatment technologies, the selective catalytic reduction of NOx by the hydrocarbons (HC-SCR) has been studied intensively, in…

Applied Catalysis B: Environmental, 2024, 351, pp.123975. ⟨10.1016/j.apcatb.2024.123975⟩. ⟨hal-04529323⟩

• Article dans une revue

The catalytic activity of microporous and mesoporous NiCoBeta zeolite catalysts in Fischer–Tropsch synthesis

Karolina Chalupka, Renata Sadek, Lukasz Szkudlarek, Pawel Mierczynski, Waldemar Maniukiewicz, Jacek Rynkowski, Jacek Gurgul, Sandra Casale, Dalil Brouri, Stanislaw Dzwigaj

Two kinds of microporous and mesoporous NiCoBeta zeolite catalysts were prepared. The effect of bimetallic zeolite preparation method, dealumination degree, the presence of micropores in the support structure and the effect of nickel addition on the activity and selectivity of cobalt-based…

Research on Chemical Intermediates, 2021, 47 (1), pp.397-418. ⟨10.1007/s11164-020-04343-0⟩. ⟨hal-03987093⟩

• Article dans une revue

Degree Complexity of a Family of Birational Maps

Eric Bedford, Kyounghee Kim, Tuyen Trung Truong, Nina Abarenkova, Jean-Marie Maillard

Mathematical Physics, Analysis and Geometry, 2008, 11 (1), pp.53-71. ⟨10.1007/s11040-008-9039-6⟩. ⟨hal-02340518⟩