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420 documents
- Maya Messaykeh, Stéphane Chenot, Pascal David, Gregory Cabailh, Jacques Jupille, et al.. Core level shifts as indicators of Cr chemistry on hydroxylated α-Al2O3(0001): a combined photoemission and first-principles study†. Physical Chemistry Chemical Physics, 2021, ⟨10.1039/D1CP03224K⟩. ⟨hal-03359564⟩
- Maya Messaykeh, Stéphane Chenot, Pascal David, Gregory Cabailh, Jacques Jupille, et al.. An In Situ and Real Time Plasmonic Approach of Seed/Adhesion Layers: Chromium Buer Eect at the Zinc/Alumina Interface. Crystal Growth & Design, 2021, 21 (6), pp.3528-3539. ⟨10.1021/acs.cgd.1c00299⟩. ⟨hal-03274561⟩
- Falko Netzer, Claudine Noguera. Oxide Thin Films and Nanostructures. Oxford University Press, 1, 2021, 978–0–19–883461–8. ⟨10.1093/oso/9780198834618.001.0001⟩. ⟨hal-03969128⟩
- Thomas Plé, Simon Huppert, Fabio Finocchi, Philippe Depondt, Sara Bonella. Anharmonic spectral features via trajectory-based quantum dynamics: a perturbative analysis of the interplay between dynamics and sampling. The Journal of Chemical Physics, 2021, 155 (10), pp.104108. ⟨10.1063/5.0056824⟩. ⟨hal-03356141⟩
- Jingfeng Li, Stéphane Chenot, Jacques Jupille, Remi Lazzari. Point Defects and Related Excess Electrons in the Dielectric Prole of the Reduced TiO 2 (110) Surface. Journal of Physical Chemistry C, 2021, 125 (30), pp.16652-16663. ⟨10.1021/acs.jpcc.1c01796⟩. ⟨hal-03370035⟩
- Ke Zhang, Linfei Li, Jacek Goniakowski, Claudine Noguera, Hans-Joachim Freund, et al.. Size effect in two-dimensional oxide-on-metal catalysts of CO oxidation and its connection to oxygen bonding: An experimental and theoretical approach. Journal of Catalysis, 2021, 393, pp.100-106. ⟨10.1016/j.jcat.2020.11.022⟩. ⟨hal-03223778⟩
- Francia Haque, Fabio Finocchi, Stéphane Chenot, Jacques Jupille, Slavica Stankic. Site-specific hydrogen reactivity of Zn0.05Mg0.95O nanopowders. Journal of Physical Chemistry C, In press, 125 (46), pp.25841-25850. ⟨hal-03412053⟩
- Nastasia Mauger, Thomas Plé, Louis Lagardère, Sara Bonella, Etienne Mangaud, et al.. Nuclear Quantum Effects in liquid water at near classical computational cost using the adaptive Quantum Thermal Bath. Journal of Physical Chemistry Letters, 2021, 12 (34), pp.8285-829. ⟨10.1021/acs.jpclett.1c01722⟩. ⟨hal-03132347⟩
- Maxime van den Bossche, Jacek Goniakowski, Claudine Noguera. Structural characteristics of Al2O3 ultra-thin films supported on the NiAl(100) substrate from DFTB-aided global optimization. Nanoscale, 2021, 13 (46), pp.19500-19510. ⟨10.1039/d1nr05705g⟩. ⟨hal-03467087⟩
- Remi Lazzari, Jacques Jupille, Rémi Cavallotti, Ekaterina Chernysheva, Sebastián Castilla, et al.. Plasmonics of Supported Nanoparticles Reveals Adhesion at the Nanoscale: Implications for Metals on Dielectrics. ACS Applied Nano Materials, 2020, 3 (12), pp.12157-12168. ⟨10.1021/acsanm.0c02656⟩. ⟨hal-03112024⟩
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