Publications HAL de la collection INSP-E9

2021

Journal articles

titre
Mixing properties of Al 2 O 3 (0001)-supported M 2 O 3 and MM′O 3 monolayers (M, M′ = Ti, V, Cr, Fe)
auteur
C. Noguera, J. Goniakowski
article
Journal of Physics: Condensed Matter, 2021, 34 (3), pp.034002. ⟨10.1088/1361-648X/ac2c3d⟩
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https://hal.sorbonne-universite.fr/hal-03477942/file/Noguera%20et%20Goniakowski%20-%202021%20-%20Mixing%20properties%20of%20Al2O3%280001%29-supported%20M%202O3%20a.pdf BibTex
titre
Thermal and Nuclear Quantum Effects at the Antiferroelectric to Paraelectric Phase Transition in KOH and KOD Crystals
auteur
Fabio Finocchi, Erika Fallacara, Philippe Depondt, Simon Huppert, Michele Ceotto
article
Journal of Physical Chemistry C, 2021, 125 (40), pp.22328-22334. ⟨10.1021/acs.jpcc.1c06953⟩
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titre
Termination-dependent electronic structure and atomic-scale screening behavior of the Cu 2 O(111) surface
auteur
Alexander Gloystein, Niklas Nilius, Claudine Noguera, Jacek Goniakowski
article
Journal of Physics: Condensed Matter, 2021, 33 (48), pp.484001. ⟨10.1088/1361-648X/ac2534⟩
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https://hal.science/hal-03364969/file/Gloystein_etal_resub.pdf BibTex
titre
Core level shifts as indicators of Cr chemistry on hydroxylated α-Al2O3(0001): a combined photoemission and first-principles study†
auteur
Maya Messaykeh, Stéphane Chenot, Pascal David, Gregory Cabailh, Jacques Jupille, Alexey Koltsov, Pierre Lagarde, Nicolas Trcera, Jacek Goniakowski, Rémi Lazzari
article
Physical Chemistry Chemical Physics, 2021, ⟨10.1039/D1CP03224K⟩
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https://hal.sorbonne-universite.fr/hal-03359564/file/Cr_AlphaAl2O3_v9.pdf BibTex
titre
An In Situ and Real Time Plasmonic Approach of Seed/Adhesion Layers: Chromium Buer Eect at the Zinc/Alumina Interface
auteur
Maya Messaykeh, Stéphane Chenot, Pascal David, Gregory Cabailh, Jacques Jupille, Alexey Koltsov, Remi Lazzari
article
Crystal Growth & Design, 2021, 21 (6), pp.3528-3539. ⟨10.1021/acs.cgd.1c00299⟩
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https://hal.sorbonne-universite.fr/hal-03274561/file/Buffer_ZnCr_Al2O3_v8.pdf BibTex
titre
Size effect in two-dimensional oxide-on-metal catalysts of CO oxidation and its connection to oxygen bonding: An experimental and theoretical approach
auteur
Ke Zhang, Linfei Li, Jacek Goniakowski, Claudine Noguera, Hans-Joachim Freund, Shamil Shaikhutdinov
article
Journal of Catalysis, 2021, 393, pp.100-106. ⟨10.1016/j.jcat.2020.11.022⟩
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https://hal.sorbonne-universite.fr/hal-03223778/file/Zhang%20et%20al.%20-%202021%20-%20Size%20effect%20in%20two-dimensional%20oxide-on-metal%20cata.pdf BibTex
titre
Point Defects and Related Excess Electrons in the Dielectric Prole of the Reduced TiO 2 (110) Surface
auteur
Jingfeng Li, Stéphane Chenot, Jacques Jupille, Remi Lazzari
article
Journal of Physical Chemistry C, 2021, 125 (30), pp.16652-16663. ⟨10.1021/acs.jpcc.1c01796⟩
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https://hal.science/hal-03370035/file/HREELS_JPCC_v13.pdf BibTex
titre
Anharmonic spectral features via trajectory-based quantum dynamics: a perturbative analysis of the interplay between dynamics and sampling
auteur
Thomas Plé, Simon Huppert, Fabio Finocchi, Philippe Depondt, Sara Bonella
article
The Journal of Chemical Physics, 2021, 155 (10), pp.104108. ⟨10.1063/5.0056824⟩
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https://hal.sorbonne-universite.fr/hal-03356141/file/Pl%C3%A9%20et%20al.%20-%202021%20-%20Anharmonic%20spectral%20features%20via%20trajectory-based%20.pdf BibTex
titre
Site-specific hydrogen reactivity of Zn0.05Mg0.95O nanopowders
auteur
Francia Haque, Fabio Finocchi, Stéphane Chenot, Jacques Jupille, Slavica Stankic
article
Journal of Physical Chemistry C, In press, 125 (46), pp.25841-25850
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https://hal.science/hal-03412053/file/Haque%20et%20al.%20JPC%20C_rev2.261021_accepted.pdf BibTex
titre
Structural characteristics of Al2O3 ultra-thin films supported on the NiAl(100) substrate from DFTB-aided global optimization
auteur
Maxime van den Bossche, Jacek Goniakowski, Claudine Noguera
article
Nanoscale, 2021, 13 (46), pp.19500-19510. ⟨10.1039/d1nr05705g⟩
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https://hal.sorbonne-universite.fr/hal-03467087/file/manuscript.pdf BibTex
titre
Nuclear Quantum Effects in liquid water at near classical computational cost using the adaptive Quantum Thermal Bath
auteur
Nastasia Mauger, Thomas Plé, Louis Lagardère, Sara Bonella, Etienne Mangaud, Jean-Philip Piquemal, Simon Huppert
article
Journal of Physical Chemistry Letters, 2021, 12 (34), pp.8285-829. ⟨10.1021/acs.jpclett.1c01722⟩
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https://hal.science/hal-03132347/file/2102.00289 BibTex

Conference papers

titre
Large scale fabrication of silicon Mie nanoresonators: an alternative to gold?
auteur
Julien Proust, Pierre-Michel Adam, Redha Abdeddaim, Anne-Laure Baudrion, Jérémie Béal, F. Bedu, Thomas Begou, Johann Berthelot, Sebastien Bidault, Nicolas Bonod, Wajdi Chaabani, Abdallah Chehaidar, Stephane Chenot, Anne-Laure Fehrembach, Bruno Gallas, Maria F. Garcia Parajo, Julien Lumeau, Artur Movsesyan, Mathieu Mivelle, Igor Ozerov, Jerome Plain, Raju Regmi, Herve Rigneault, Pamina M. Winkler
article
International Conference on Metamaterials, Photonic Crystals and Plasmonics META 2021, Jul 2021, Warsaw, Poland. pp.116-117
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https://hal.science/hal-04229334/file/Proust%20et%20al.%20-%202021%20-%20Large%20scale%20fabrication%20of%20silicon%20Mie%20nanoresonat.pdf BibTex
titre
Clustering methods for exploration of potential energy surfaces
auteur
Lune Maillard, Martino Trassinelli, Fabio Finocchi
article
Book of Abstracts 40th International Workshop on Bayesian Inference and Maximum Entropy Methods in Science and Engineering, Jul 2021, Graz, Austria
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titre
Bayesian-assisted strategies to Landau-like effective Hamiltonians
auteur
Luis Zaragoza Gonzalez-Miret, Fabio Finocchi, Martino Trassinelli
article
Book of Abstracts 40th International Workshop on Bayesian Inference and Maximum Entropy Methods in Science and Engineering, Jul 2021, Graz, Austria
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Books

titre
Oxide Thin Films and Nanostructures
auteur
Falko Netzer, Claudine Noguera
article
Oxford University Press, 1, 2021, 978–0–19–883461–8. ⟨10.1093/oso/9780198834618.001.0001⟩
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