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Tuning the properties of visible-light-responsive tantalum (oxy)nitride photocatalysts by non-stoichiometric compositions: a first-principles viewpoint

Moussab Harb , Philippe Sautet , Ela Nurlaela , Pascal Raybaud , Luigi Cavallo , et al.
Physical Chemistry Chemical Physics, 2014, 16 (38), pp.20548 - 20560. ⟨10.1039/c4cp03594a⟩
Journal articles hal-01896750v1

Multicale simulation of heterogeneous catalysis: butadiene hydrogenation from molecular reaction steps to the fluid flow

Philippe Sautet , Ludovic G. V. Briquet , Sarah Gautier , Céline Chizallet , Pascal Raybaud , et al.
Multiscale Modelling Workshop, 2015, Manchester, United Kingdom
Conference papers hal-02076136v1
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Impact of Organic Templates on the Selective Formation of Zeolite Oligomers

Marine Ciantar , Thuat T Trinh , Carine Michel , Philippe Sautet , Caroline Mellot-Draznieks , et al.
Angewandte Chemie International Edition, 2021, 60 (13), pp.7111-7116. ⟨10.1002/anie.202014027⟩
Journal articles hal-03261143v1
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Dehydrogenation Mechanisms of Methyl-cyclohexane on Al 2 O 3 Supported Pt 13 : Impact of Cluster Ductility

Wei Zhao , Céline Chizallet , Philippe Sautet , Pascal Raybaud
Chinese Journal of Catalysis, 2019, 370, pp.118-129. ⟨10.1016/j.jcat.2018.12.004⟩
Journal articles hal-01999587v1
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Thermokinetic and Spectroscopic Mapping of Carbon Monoxide Adsorption on Highly Dispersed Pt/γ-Al 2 O 3

Alexis Sangnier , Eric Genty , Mathilde Iachella , Philippe Sautet , Pascal Raybaud , et al.
ACS Catalysis, 2021, 11 (21), pp.13280-13293. ⟨10.1021/acscatal.1c04262⟩
Journal articles hal-03500445v1

Study of the Structure of OH Groups on MgO by 1D and 2D 1 H MAS NMR Combined with DFT Cluster Calculations

Céline Chizallet , Guylène Costentin , Helene Lauron-Pernot , Michel Che , Christian Bonhomme , et al.
Journal of Physical Chemistry C, 2007, 111 (49), pp.18279 - 18287. ⟨10.1021/jp077089g⟩
Journal articles istex hal-01896667v1

Nucleation of Pd n ( n = 1 – 5 ) clusters and wetting of Pd particles on γ − Al 2 O 3 surfaces: A density functional theory study

Manuel Corral Valero , Pascal Raybaud , Philippe Sautet
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 75 (4), pp.045427. ⟨10.1103/PhysRevB.75.045427⟩
Journal articles hal-01889759v1