Butanethiol adsorption and dissociation on Ag (111): A periodic DFT study
Aixiao Li
,
Jean-Philip Piquemal
,
Johannes Richardi
,
Monica Calatayud
Journal articles
hal-01171804v1
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Hydrogen activation on Anatase TiO2: Effect of surface termination
Baohuan Wei
,
Monica Calatayud
Journal articles
hal-03448788v1
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Scaling reducibility of metal oxides
Z. Helali
,
A. Jedidi
,
O. A. Syzgantseva
,
M. Calatayud
,
C. Minot
et al.
Journal articles
hal-01582563v1
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H2 Dissociation and Oxygen Vacancy Formation on Ce2O3 Surfaces
O. Matz
,
M. Calatayud
Journal articles
hal-02496932v1
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Multi-Scale Modelling of Aggregation of TiO2 Nanoparticle Suspensions in Water
Giulia Mancardi
,
Matteo Alberghini
,
Neus Aguilera-Porta
,
Monica Calatayud
,
Pietro Asinari
et al.
Journal articles
hal-03542957v1
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Can the environmental TEM confirm atomistic models of adsorbed molecules at surfaces of solids?
Matthieu Bugnet
,
Ihor Pershukov
,
Olivier Matz
,
Monica Calatayud
,
Thierry Epicier
et al.
Conference papers
hal-02351353v1
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The role of dispersion forces in metal-supported self-assembled monolayers
Roberto A. Boto
,
J. Contreras-García
,
M. Calatayud
Journal articles
hal-01102760v1
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Understanding the Role of Rutile TiO2 Surface Orientation on Molecular Hydrogen Activation
Baohuan Wei
,
Frederik Tielens
,
Monica Calatayud
Journal articles
hal-02344620v1
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Comparison of long-range corrected kernels and range-separated hybrids for excitons in solids
Rita Maji
,
Elena Degoli
,
Monica Calatayud
,
Valérie Véniard
,
Eleonora Luppi
et al.
2022
Preprints, Working Papers, ...
hal-03775538v1
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Modelling rutile TiO 2 nanorod growth preferences: a Density Functional Theory study
Hsin-Hung Chou
,
Sofia Ya-Hsuan Liou
,
Monica Calatayud
Journal articles
hal-02496863v1
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Tackling active sites in supported vanadium oxide catalysts, which one is “operando” working?
Miguel A. Bañares
,
Marco Daturi
,
Pedro Ávila
,
Monica Calatayud
,
M. Martinez-Huerta
et al.
252th ACS National Meeting & Exposition, "Symposium in honor of Israel E. Wachs: Celebrating Three Decades in Academia" , Aug 2016, Philadelphia, United States
Conference papers
hal-02066059v1
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Controlled selectivity for ethanol steam reforming reaction over doped CeO2 surfaces: The role of gallium
Julia Vecchietti
,
Pablo Lustemberg
,
Esteban L Fornero
,
Monica Calatayud
,
Sebastián E Collins
et al.
Journal articles
hal-02873975v1
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The Subsurface Diffusion of Hydrogen on Rutile TiO2 Surfaces: A Periodic DFT Study
Baohuan Wei
,
Monica Calatayud
Journal articles
hal-03419562v1
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How in situ generated hydrogen controls the morphology of platinum nanocrystals : in situ SAXS and WAXS study of the growth process
C. Petit
,
C Salzemann
,
Monica Calatayud
,
Pascal Andreazza
,
Florian Meneau
et al.
Liquid X-ray Spectroscopy LIXS 2017 , Jan 2017, Saclay, France
Conference papers
hal-03945802v1
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Periodic DFT Study of Rutile IrO2 : Surface Reactivity and Catechol Adsorption
Olivier Matz
,
Monica Calatayud
Journal articles
hal-01537843v1
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Study of zirconium oxide solubility and its surface reactivity in aqueous media
Wiem Zouari
,
Tomo Suzuki-Muresan
,
Monica Calatayud
,
Abdesselam Abdelouas
,
Bernd Grambow
et al.
International Symposium on Solubility Phenomena and Related Equilibrium Processes ISSP , Jul 2018, Tours, France
Conference papers
in2p3-02470412v1
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