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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
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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

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
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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
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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
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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
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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
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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
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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
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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
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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

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
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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

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

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

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
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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
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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

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
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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
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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
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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
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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
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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
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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
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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
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Mémoire d'Habilitation à Diriger des Recherches Sorbonne Université

Slavica Stankic
Chemical Sciences. Sorbone Université, 2020
Habilitation à diriger des recherches tel-03952647v1
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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
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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

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