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Au3-to-Ag3coordinate-covalent bonding and other supramolecular interactions with covalent bonding strength

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A DFT study of PtAu bimetallic clusters adsorbed on MgO/Ag(100) ultrathin films

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Phys. Chem. Chem. Phys., 2010, 12, 6352
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Cu adatom charging on Mo supported ScN, MgO and NaF

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Chemical bonding and Cu diffusion at the Cu/Ta2N interface: a DFT study

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Adsorption of an Au atom and dimer on a thin θ-Al2O3/NiAl(100) film: dependence on the thickness of the θ-Al2O3 film

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Reducibility of ZrO2/Pt3Zr and ZrO2/Pt 2D films compared to bulk zirconia: a DFT+U study of oxygen removal and H2adsorption

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Nanoscale, 2017, 9, 6866
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Theoretical chemistry of gold. III

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Controlling the charge state of supported nanoparticles in catalysis: lessons from model systems

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Work function tuning of an ultrathin MgO film on an Ag substrate by generating oxygen impurities at the interface

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Tuning the work function of ultrathin oxide films on metals by adsorption of alkali atoms

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The Journal of Chemical Physics, 2008, 128
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Polarity of ultrathin MgO(111) films deposited on a metal substrate

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Role of cationic gold in supported CO oxidation catalysts

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Water Dissociation on MgO/Ag(100): Support Induced Stabilization or Electron Pairing?

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Modified Ion Pair Interaction for Water Dimers on Supported MgO Ultrathin Films

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J. Phys. Chem. C, 2012, 116, 20349
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High-Brightness Photocathodes through Ultrathin Surface Layers on Metals

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Theory of oxides surfaces, interfaces and supported nano-clusters

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Theor Chem Account, 2007, 117, 827
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Control of the Charge State of Metal Atoms on Thin MgO Films

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Metal-supported ultrathin oxide film systems as designable catalysts and catalyst supports

Hans-Joachim Freund

Surface Science, 2007, 601, 1438
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Effect of Interfacial Ion Migration on Oxidation in Fe/MgO/Gd Nanoheterostructures

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Model Systems in Heterogeneous Catalysis: Selectivity Studies at the Atomic Level

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Au Dimers on Thin MgO(001) Films: Flat and Charged or Upright and Neutral?

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Adsorption of transition metal atoms on the NiO(100) surface and on NiO/Ag(100) thin films

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X-ray Photoemission Study of the Charge State of Au Nanoparticles on Thin MgO/Fe(001) Films

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J. Phys. Chem. C, 2009, 113, 19957
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Low-dimensional oxide nanostructures on metals: Hybrid systems with novel properties

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Charge Transfer Drives Hydrogen Adsorption, Spillover, and Hydroxylation at the Pt/γ-Al2O3 Interface

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Au Adsorption on Regular and Defected Thin MgO(100) Films Supported by Mo

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Electron Paramagnetic Resonance of Alkali Metal Atoms and Dimers on Ultrathin MgO

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Theoretical investigations of the interaction between diatomic molecules and coinage metal atoms

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Adsorption of gold clusters on metal-supported MgO: Correlation to electron affinity of gold

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Tailoring oxide properties: An impact on adsorption characteristics of molecules and metals

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Oxide Films at the Nanoscale: New Structures, New Functions, and New Materials

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Growth of Single- and Bilayer ZnO on Au(111) and Interaction with Copper

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Scanning tunneling microscopy evidence for the Mars-van Krevelen type mechanism of low temperature CO oxidation on an FeO(111) film on Pt(111)

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Catalysis Today, 2012, 181, 52
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Crossover from Three-Dimensional to Two-Dimensional Geometries of Au Nanostructures on Thin MgO(001) Films: A Confirmation of Theoretical Predictions

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Charging and Chemical Reactivity of Gold Nanoparticles and Adatoms on the (111) Surface of Single-Crystal Magnetite: A Scanning Tunneling Microscopy/Spectroscopy Study

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Resolving oxide surfaces – From point and line defects to complex network structures

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Binding and stability of MgO monomers on anatase TiO2(101)

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Single-Atom Catalysis: Insights from Model Systems

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F and F+ Centers on MgO/Ag(100) or MgO/Mo(100) Ultrathin Films: Are They Stable?

Livia Giordano, Umberto Martinez, Gianfranco Pacchioni, Matthew Watkins and Alexander L. Shluger

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Charging of atoms, clusters, and molecules on metal-supported oxides: A general and long-ranged phenomenon

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Observable consequences of formation of Au anions from deposition of Au atoms on ultrathin oxide films

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The Journal of Chemical Physics, 2007, 127
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Adsorption of metal adatoms on FeO(111) and MgO(111) monolayers: Effects of charge state of adsorbate on rumpling of supported oxide film

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Phys. Rev. B, 2009, 80
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Li, Al, and Ni Substitutional Doping in MgO Ultrathin Films on Metals: Work Function Tuning via Charge Compensation

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Electron Transfer at Oxide Surfaces. The MgO Paradigm: from Defects to Ultrathin Films

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Dynamics of Photo-Generated Carriers across the Interface between CsPbBr3 Nanocrystals and Au–Ag Nanostructured Film, and Its Control via Ultrathin MgO Interface Layer

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ACS Omega, 2020, 5, 11915
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Charging of Metal Adatoms on Ultrathin Oxide Films: Au and Pd onFeO/Pt(111)

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Machine learning guided prediction of solute segregation at coherent and semi-coherent metal/oxide interfaces

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Two‐Dimensional Oxides and Their Role in Electron Transfer Mechanisms with Adsorbed Species

Gianfranco Pacchioni

The Chemical Record, 2014, 14, 910
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Adsorption of Late Transition Metal Atoms on MgO/Mo(100) and MgO/Ag(100) Ultrathin Films: A Comparative DFT Study

Sabrina Sicolo, Livia Giordano and Gianfranco Pacchioni

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Induced work function changes at Mg-doped MgO/Ag(001) interfaces: Combined Auger electron diffraction and density functional study

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Spontaneous Oxidation of Mg Atoms at Defect Sites in an MgO Surface

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Electron Emission Energy Barriers and Stability of Sc2O3 with Adsorbed Ba and Ba–O

Ryan M. Jacobs, John H. Booske and Dane Morgan

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Chapter model systems in heterogeneous catalysis at the atomic level: a personal view

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NO2 Adsorption on Ag(100) Supported MgO(100) Thin Films: Controlling the Adsorption State with Film Thickness

David E. Starr, Christoph Weis, Susumu Yamamoto, Anders Nilsson and Hendrik Bluhm

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Thickness-Dependent Hydroxylation of MgO(001) Thin Films

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Polarity in Oxide Nano-objects

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Adsorption of CO on gas phase and zeolite supported gold monomers: A computational study

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Chemical Physics Letters, 2010, 490, 184
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CO Adsorption on One-, Two-, and Three-Dimensional Au Clusters Supported on MgO/Ag(001) Ultrathin Films

Sabrina Sicolo, Livia Giordano and Gianfranco Pacchioni

J. Phys. Chem. C, 2009, 113, 10256
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Mechanism of Charging of Au Atoms and Nanoclusters on Li Doped SiO2/Mo(112) Films

Umberto Martinez, Livia Giordano and Gianfranco Pacchioni

ChemPhysChem, 2010, 11, 412
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