Loading...
Search
Last submissions
-
Brieuc Le Dé, Simon Huppert, Riccardo Spezia, Alex W. Chin. Extending Non-Perturbative Simulation Techniques for Open-Quantum Systems to Excited-State Proton Transfer and Ultrafast Non-Adiabatic Dynamics. Journal of Chemical Theory and Computation, 2024, 20 (20), pp.8749-8766. ⟨10.1021/acs.jctc.4c00666⟩. ⟨hal-04796864⟩
-
Ekaterina Chernysheva, Bertrand Philippe, Håkan Rensmo, Olof Karis, Roberto Felix Duarte, et al.. Redox reaction at buried ZnO/Ti thin film interface as seen by hard x-ray photoemission and thermal desorption spectroscopy. Applied Surface Science, 2025, 680, pp.161409. ⟨10.1016/j.apsusc.2024.161409⟩. ⟨hal-04735289⟩
-
Aimeric Ouvrard, Natalia Alyabyeva, Abdoul-Mouize Zakaria, Keke Yuan, Céline Dablemont, et al.. Change of composition and surface plasmon resonance of Pd/Au core/shell nanoparticles triggered by CO adsorption. The Journal of Chemical Physics, 2024, 161 (12), pp.124713. ⟨10.1063/5.0231175⟩. ⟨cea-04716025⟩
Full text articles
149
Keywords
Carbon monoxide oxidation
Vibrational spectroscopy
Spinel
Magnesium oxide
ZnO
Microstructure
Path integrals
7322−f
Interfaces
NANOKIN code
Miscibility gap
Hydrogen bonds
Ab initio calculations
Silver
Solid-state dewetting
Oxygen
Lattice dynamics
Density functional theory
Olivine
Grazing incidence X-ray diffraction
Iron compounds
Magnetron sputtering
Gold nanoparticles
Metal oxide nanoparticles
Intercalation compounds
Oxides
Nanocrystal
Model catalyst
Surface science
Nanostructures
Lithium compounds
Metals
Force field
Faceting
Local structure
Quantum thermal bath
Water
Dioxyde de titane
MgO
Magnesium compounds
Density functional calculations
Quantum nuclear effects
Carbon
Thin films
Heterogeneous catalysis
Raman spectra
Ultra-thin films
III-V semiconductors
Phase transition
Computer simulation
EPR
Nanoparticles
Molecular dynamics
Magnetic properties and materials
Magnetic properties
Defects
Nuclear quantum effects
Chemisorption
XPS
Li-ion batteries
Effets quantiques nucléaires
Conduction bands
X-ray diffraction
Metal/oxide interface
Cobalt
Clusters
Raman spectroscopy
Nucleation
Layered compounds
Lithium-ion batteries
Metal-insulator boundaries
GISAXS
Nucleation and growth
DFT
Phonons
Scanning tunneling microscopy
Iron
Oxidation
Argent
Edgeworth expansion
Out-of-equilibrium dynamic properties
Grazing incidence small angle X-ray scattering
Platinum
Magnesium oxides
Chemical bonding
Couches minces
Structure
FTIR
Lithium batteries
Segregation
Optical properties
Intégrales de chemin
Numerical simulation studies
Monolayers
Palladium
Antibacterial activity
Iron aluminide
Adsorption
FTIR spectroscopy
Magnetic properties of nanostructures