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		Les interfaces métal/oxyde à la lumière du rayonnement synchrotron Remi Lazzari ISTE. Rayons X et matière - Volume 7 Publié suite aux colloques RX2017 et 2019 sous la direction de Philippe GOUDEAU et de René GUINEBRETIÈRE, 7, A paraître, Rayons X et matière Book sections hal-03941766v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Competitive Formation of Ultra-thin Alumina Films at the Fe 0.85 Al 0.15 (110) Surface Natalia Alyabyeva , Stéphane Chenot , Pascal David , Gregory Cabailh , Jacques Jupille et al. Journal of Physical Chemistry C, 2022, ⟨10.1021/acs.jpcc.2c06392⟩ Journal articles hal-03838519v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Quantum Anharmonic Calculations of Vibrational Spectra for Water Adsorbed on Titania Anatase(101) Surface: Dissociative versus Molecular Adsorption Marco Cazzaniga , Marco Micciarelli , Fabio Gabas , Fabio Finocchi , Michele Ceotto et al. Journal of Physical Chemistry C, 2022, pp.12060-12073. ⟨10.1021/acs.jpcc.2c02137⟩ Journal articles hal-03872268v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Simulation of Nuclear Quantum Effects in Condensed Matter Systems via Quantum Baths Simon Huppert , Thomas Plé , Sara Bonella , Philippe Depondt , Fabio Finocchi et al. Applied Sciences, 2022, 12 (9), pp.4756. ⟨10.3390/app12094756⟩ Journal articles hal-03872313v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Two-Dimensional Oxide Alloys Probed at the Atomic Level: (V,Fe)2O3 Honeycomb Monolayers on Pt(111) P. Wemhoff , N. Nilius , C. Noguera , Jacek Goniakowski Journal of Physical Chemistry C, 2022, 126 (10), pp.5070-5078. ⟨10.1021/acs.jpcc.2c00683⟩ Journal articles hal-03651912v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Mixing properties of Al 2 O 3 (0001)-supported M 2 O 3 and MM′O 3 monolayers (M, M′ = Ti, V, Cr, Fe) C Noguera , Jacek Goniakowski Journal of Physics: Condensed Matter, 2022, 34 (3), pp.034002. ⟨10.1088/1361-648X/ac2c3d⟩ Journal articles hal-03797138v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Epitaxially Constrained Grain Boundary Structures in an Oxide Honeycomb Monolayer Shuqiu Wang , Xiao Hu , Jacek Goniakowski , Claudine Noguera , Martin Castell et al. Advanced Materials Interfaces, 2022, 9 (14), pp.2102213. ⟨10.1002/admi.202102213⟩ Journal articles hal-03797143v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		The quantum taste of hydrogen Philippe Depondt , Simon Huppert , Fabio Finocchi EPJ Web of Conferences, 2022, 263, pp.01014. ⟨10.1051/epjconf/202226301014⟩ Journal articles hal-03872302v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Quantum versus classical unimolecular fragmentation rate constants and activation energies at finite temperature from direct dynamics simulations Federica Angiolari , Simon Huppert , Riccardo Spezia Physical Chemistry Chemical Physics, 2022, 24, pp.29357 - 29370. ⟨10.1039/d2cp03809a⟩ Journal articles hal-03940836v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Structure and Stoichiometry Self-Organization in a Mixed Vanadium–Iron Oxide Honeycomb Film on Ru(0001) Piotr Igor Wemhoff , Claudine Noguera , Jacek Goniakowski , Niklas Nilius Journal of Physical Chemistry C, 2022, 126 (46), pp.19947-19955. ⟨10.1021/acs.jpcc.2c06476⟩ Journal articles hal-03892411v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Mixing properties of Al 2 O 3 (0001)-supported M 2 O 3 and MM′O 3 monolayers (M, M′ = Ti, V, Cr, Fe) C. Noguera , J. Goniakowski Journal of Physics: Condensed Matter, 2021, 34 (3), pp.034002. ⟨10.1088/1361-648X/ac2c3d⟩ Journal articles hal-03477942v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Thermal and Nuclear Quantum Effects at the Antiferroelectric to Paraelectric Phase Transition in KOH and KOD Crystals Fabio Finocchi , Erika Fallacara , Philippe Depondt , Simon Huppert , Michele Ceotto et al. Journal of Physical Chemistry C, 2021, 125 (40), pp.22328-22334. ⟨10.1021/acs.jpcc.1c06953⟩ Journal articles hal-03418844v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Termination-dependent electronic structure and atomic-scale screening behavior of the Cu 2 O(111) surface Alexander Gloystein , Niklas Nilius , Claudine Noguera , Jacek Goniakowski Journal of Physics: Condensed Matter, 2021, 33 (48), pp.484001. ⟨10.1088/1361-648X/ac2534⟩ Journal articles hal-03364969v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Nuclear Quantum Effects in liquid water at near classical computational cost using the adaptive Quantum Thermal Bath Nastasia Mauger , Thomas Plé , Louis Lagardère , Sara Bonella , Etienne Mangaud et al. Journal of Physical Chemistry Letters, 2021, ⟨10.1021/acs.jpclett.1c01722⟩ Journal articles hal-03132347v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Clustering methods for exploration of potential energy surfaces Lune Maillard , Martino Trassinelli , Fabio Finocchi Book of Abstracts 40th International Workshop on Bayesian Inference and Maximum Entropy Methods in Science and Engineering, Jul 2021, Graz, Austria Conference papers hal-03419057v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Bayesian-assisted strategies to Landau-like effective Hamiltonians Luis Zaragoza Gonzalez-Miret , Fabio Finocchi , Martino Trassinelli Book of Abstracts 40th International Workshop on Bayesian Inference and Maximum Entropy Methods in Science and Engineering, Jul 2021, Graz, Austria Conference papers hal-03419045v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Core level shifts as indicators of Cr chemistry on hydroxylated α-Al2O3(0001): a combined photoemission and first-principles study† Maya Messaykeh , Stéphane Chenot , Pascal David , Gregory Cabailh , Jacques Jupille et al. Physical Chemistry Chemical Physics, 2021, ⟨10.1039/D1CP03224K⟩ Journal articles hal-03359564v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		An In Situ and Real Time Plasmonic Approach of Seed/Adhesion Layers: Chromium Buer Eect at the Zinc/Alumina Interface Maya Messaykeh , Stéphane Chenot , Pascal David , Gregory Cabailh , Jacques Jupille et al. Crystal Growth & Design, 2021, 21 (6), pp.3528-3539. ⟨10.1021/acs.cgd.1c00299⟩ Journal articles hal-03274561v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Oxide Thin Films and Nanostructures Falko Netzer , Claudine Noguera Oxford University Press, 1, 2021, 978–0–19–883461–8. ⟨10.1093/oso/9780198834618.001.0001⟩ Books hal-03969128v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Point Defects and Related Excess Electrons in the Dielectric Prole of the Reduced TiO 2 (110) Surface Jingfeng Li , Stéphane Chenot , Jacques Jupille , Remi Lazzari Journal of Physical Chemistry C, 2021, 125 (30), pp.16652-16663. ⟨10.1021/acs.jpcc.1c01796⟩ Journal articles hal-03370035v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Anharmonic spectral features via trajectory-based quantum dynamics: a perturbative analysis of the interplay between dynamics and sampling Thomas Plé , Simon Huppert , Fabio Finocchi , Philippe Depondt , Sara Bonella et al. Journal of Chemical Physics, 2021, 155 (10), pp.104108. ⟨10.1063/5.0056824⟩ Journal articles hal-03356141v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Size effect in two-dimensional oxide-on-metal catalysts of CO oxidation and its connection to oxygen bonding: An experimental and theoretical approach Ke Zhang , Linfei Li , Jacek Goniakowski , Claudine Noguera , Hans-Joachim Freund et al. Journal of Catalysis, 2021, 393, pp.100-106. ⟨10.1016/j.jcat.2020.11.022⟩ Journal articles hal-03223778v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Site-specific hydrogen reactivity of Zn0.05Mg0.95O nanopowders Francia Haque , Fabio Finocchi , Stéphane Chenot , Jacques Jupille , Slavica Stankic et al. Journal of Physical Chemistry C, In press, 125 (46), pp.25841-25850 Journal articles hal-03412053v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Structural characteristics of Al2O3 ultra-thin films supported on the NiAl(100) substrate from DFTB-aided global optimization Maxime van den Bossche , Jacek Goniakowski , Claudine Noguera Nanoscale, 2021, 13 (46), pp.19500-19510. ⟨10.1039/d1nr05705g⟩ Journal articles hal-03467087v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Plasmonics of Supported Nanoparticles Reveals Adhesion at the Nanoscale: Implications for Metals on Dielectrics Remi Lazzari , Jacques Jupille , Rémi Cavallotti , Ekaterina Chernysheva , Sebastián Castilla et al. ACS Applied Nano Materials, 2020, 3 (12), pp.12157-12168. ⟨10.1021/acsanm.0c02656⟩ Journal articles hal-03112024v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Nuclear Quantum Dynamics: exploration and comparison of trajectory-based methods Thomas Plé Theoretical and/or physical chemistry. Sorbonne Université, 2020. English. ⟨NNT : ⟩ Theses tel-03385053v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Mémoire d'Habilitation à Diriger des Recherches Sorbonne Université Slavica Stankic Chemical Sciences. Sorbone Université, 2020 Habilitation à diriger des recherches tel-03952647v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		The Nanopyramidal Reconstruction of Cu 2 O(111): a Long-standing Surface Puzzle Solved by STM and DFT A. Gloystein , N. Nilius , J. Goniakowski , C. Noguera Journal of Physical Chemistry C, 2020, 124 (49), pp.26937-26943. ⟨10.1021/acs.jpcc.0c09330⟩ Journal articles hal-03182387v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Nanosheet size-dependent rheology, microstructure, adsorption properties of graphene oxide-electrolyte dispersions and adsorbents Abhijeet Ojha , Helen Ibrahim , Natalia Alyabyeva , Remi Lazzari , Michel Goldmann et al. Synthetic Metals, 2020, 269, pp.116494. ⟨10.1016/j.synthmet.2020.116494⟩ Journal articles hal-02995172v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More
		Semiconductor Quantum Plasmonics Angela Vasanelli , Simon Huppert , Andrew Haky , Thibault Laurent , Yanko Todorov et al. Physical Review Letters, 2020, 125 (18), pp.187401. ⟨10.1103/PhysRevLett.125.187401⟩ Journal articles hal-03058006v1	Send to ORCID Export BibTeX TEI Dublin Core DC Terms EndNote Advanced export Share Gmail Facebook Twitter LinkedIn More

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Les interfaces métal/oxyde à la lumière du rayonnement synchrotron

Competitive Formation of Ultra-thin Alumina Films at the Fe 0.85 Al 0.15 (110) Surface

Quantum Anharmonic Calculations of Vibrational Spectra for Water Adsorbed on Titania Anatase(101) Surface: Dissociative versus Molecular Adsorption

Simulation of Nuclear Quantum Effects in Condensed Matter Systems via Quantum Baths

Two-Dimensional Oxide Alloys Probed at the Atomic Level: (V,Fe)2O3 Honeycomb Monolayers on Pt(111)

Mixing properties of Al 2 O 3 (0001)-supported M 2 O 3 and MM′O 3 monolayers (M, M′ = Ti, V, Cr, Fe)

Epitaxially Constrained Grain Boundary Structures in an Oxide Honeycomb Monolayer

The quantum taste of hydrogen

Quantum versus classical unimolecular fragmentation rate constants and activation energies at finite temperature from direct dynamics simulations

Structure and Stoichiometry Self-Organization in a Mixed Vanadium–Iron Oxide Honeycomb Film on Ru(0001)

Mixing properties of Al 2 O 3 (0001)-supported M 2 O 3 and MM′O 3 monolayers (M, M′ = Ti, V, Cr, Fe)

Thermal and Nuclear Quantum Effects at the Antiferroelectric to Paraelectric Phase Transition in KOH and KOD Crystals

Termination-dependent electronic structure and atomic-scale screening behavior of the Cu 2 O(111) surface

Nuclear Quantum Effects in liquid water at near classical computational cost using the adaptive Quantum Thermal Bath

Clustering methods for exploration of potential energy surfaces

Bayesian-assisted strategies to Landau-like effective Hamiltonians

Core level shifts as indicators of Cr chemistry on hydroxylated α-Al2O3(0001): a combined photoemission and first-principles study†

An In Situ and Real Time Plasmonic Approach of Seed/Adhesion Layers: Chromium Buer Eect at the Zinc/Alumina Interface

Oxide Thin Films and Nanostructures

Point Defects and Related Excess Electrons in the Dielectric Prole of the Reduced TiO 2 (110) Surface

Anharmonic spectral features via trajectory-based quantum dynamics: a perturbative analysis of the interplay between dynamics and sampling

Size effect in two-dimensional oxide-on-metal catalysts of CO oxidation and its connection to oxygen bonding: An experimental and theoretical approach

Site-specific hydrogen reactivity of Zn0.05Mg0.95O nanopowders

Structural characteristics of Al2O3 ultra-thin films supported on the NiAl(100) substrate from DFTB-aided global optimization

Plasmonics of Supported Nanoparticles Reveals Adhesion at the Nanoscale: Implications for Metals on Dielectrics

Nuclear Quantum Dynamics: exploration and comparison of trajectory-based methods

Mémoire d'Habilitation à Diriger des Recherches Sorbonne Université

The Nanopyramidal Reconstruction of Cu 2 O(111): a Long-standing Surface Puzzle Solved by STM and DFT

Nanosheet size-dependent rheology, microstructure, adsorption properties of graphene oxide-electrolyte dispersions and adsorbents

Semiconductor Quantum Plasmonics