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Copper Single Atoms Chelated on Ligand‐Modified Carbon for Ullmann‐type C−O Coupling.
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- ChemSusChem, 2024, v. 17, n. 5, p. 1, doi. 10.1002/cssc.202301529
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Front Cover: Copper Single Atoms Chelated on Ligand‐Modified Carbon for Ullmann‐type C−O Coupling (ChemSusChem 5/2024).
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- ChemSusChem, 2024, v. 17, n. 5, p. 1, doi. 10.1002/cssc.202400201
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Copper Single Atoms Chelated on Ligand‐Modified Carbon for Ullmann‐Type C−O Coupling.
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- ChemSusChem, 2024, v. 17, n. 5, p. 1, doi. 10.1002/cssc.202400202
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Modeling Single‐Atom Catalysis.
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- Advanced Materials, 2023, v. 35, n. 46, p. 1, doi. 10.1002/adma.202307150
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Modeling Hydrogen and Oxygen Evolution Reactions on Single Atom Catalysts with Density Functional Theory: Role of the Functional.
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- Advanced Theory & Simulations, 2023, v. 6, n. 10, p. 1, doi. 10.1002/adts.202200513
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- Article
Water Splitting on a Pt<sub>1</sub>/C<sub>3</sub>N<sub>4</sub> Single Atom Catalyst: A Modeling Approach.
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- Topics in Catalysis, 2023, v. 66, n. 15/16, p. 1120, doi. 10.1007/s11244-023-01802-x
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- Article
Mixed Germania‐Silica Films on Ru(0001): A Combined Experimental and Theoretical Study.
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- Israel Journal of Chemistry, 2023, v. 63, n. 7/8, p. 1, doi. 10.1002/ijch.202300005
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CO<sub>2</sub> Activation on Cu/TiO<sub>2</sub> Nanostructures: Importance of Dual Binding Site.
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- Chemistry - A European Journal, 2023, v. 29, n. 36, p. 1, doi. 10.1002/chem.202300757
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- Article
Identification of Intermediates in the Reaction Pathway of SO<sub>2</sub> on the CaO Surface: From Physisorption to Sulfite to Sulfate.
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- Chemistry - A European Journal, 2023, v. 29, n. 23, p. 1, doi. 10.1002/chem.202203956
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Vibrational Properties of CO Adsorbed on Au Single Atom Catalysts on TiO<sub>2</sub>(101), ZrO<sub>2</sub>(101), CeO<sub>2</sub>(111), and LaFeO<sub>3</sub>(001) Surfaces: A DFT Study.
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- Topics in Catalysis, 2022, v. 65, n. 17/18, p. 1573, doi. 10.1007/s11244-021-01514-0
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- Article
Single Atom Catalysts: What Matters Most, the Active Site or The Surrounding?
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- ChemCatChem, 2022, v. 14, n. 19, p. 1, doi. 10.1002/cctc.202200611
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- Article
Wachstum von N‐heterocyclischen Carbenen auf Cu(100) und Cu(111): von einzelnen Molekülen bis hin zu Inseln mit magischen Zahlen.
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- Angewandte Chemie, 2022, v. 134, n. 30, p. 1, doi. 10.1002/ange.202202127
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- Article
Growth of N‐Heterocyclic Carbene Assemblies on Cu(100) and Cu(111): From Single Molecules to Magic‐Number Islands.
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- Angewandte Chemie International Edition, 2022, v. 61, n. 30, p. 1, doi. 10.1002/anie.202202127
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Frontispiece: Rational Design of Semiconductor Heterojunctions for Photocatalysis.
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- Chemistry - A European Journal, 2021, v. 27, n. 53, p. 1, doi. 10.1002/chem.202185362
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Rational Design of Semiconductor Heterojunctions for Photocatalysis.
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- Chemistry - A European Journal, 2021, v. 27, n. 53, p. 13306, doi. 10.1002/chem.202101764
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Nature and Role of Surface Junctions in BiOIO<sub>3</sub> Photocatalysts.
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- Advanced Functional Materials, 2021, v. 31, n. 20, p. 1, doi. 10.1002/adfm.202009472
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- Article
Frontispiece: Growth and Atomic‐Scale Characterization of Ultrathin Silica and Germania Films: The Crucial Role of the Metal Support.
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- Chemistry - A European Journal, 2021, v. 27, n. 6, p. 1, doi. 10.1002/chem.202180661
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Growth and Atomic‐Scale Characterization of Ultrathin Silica and Germania Films: The Crucial Role of the Metal Support.
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- Chemistry - A European Journal, 2021, v. 27, n. 6, p. 1870, doi. 10.1002/chem.202001806
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Chemical Reactivity of Supported ZnO Clusters: Undercoordinated Zinc and Oxygen Atoms as Active Sites.
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- ChemPhysChem, 2020, v. 21, n. 23, p. 2553, doi. 10.1002/cphc.202000747
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Characterization of Acid and Basic Sites on Zirconia Surfaces and Nanoparticles by Adsorbed Probe Molecules: A Theoretical Study.
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- Topics in Catalysis, 2020, v. 63, n. 19/20, p. 1717, doi. 10.1007/s11244-020-01328-6
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On the Real Nature of Rh Single‐Atom Catalysts Dispersed on the ZrO<sub>2</sub> Surface.
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- ChemCatChem, 2020, v. 12, n. 9, p. 2595, doi. 10.1002/cctc.201901878
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Charge Carriers Cascade in a Ternary TiO<sub>2</sub>/TiO<sub>2</sub>/ZnS Heterojunction: A DFT Study.
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- ChemCatChem, 2020, v. 12, n. 7, p. 2097, doi. 10.1002/cctc.201902351
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Role of Metal/Oxide Interfaces in Enhancing the Local Oxide Reducibility.
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- Topics in Catalysis, 2019, v. 62, n. 17-20, p. 1192, doi. 10.1007/s11244-018-1056-5
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From Crystalline to Amorphous Germania Bilayer Films at the Atomic Scale: Preparation and Characterization.
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- Angewandte Chemie, 2019, v. 131, n. 32, p. 11019, doi. 10.1002/ange.201903922
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From Crystalline to Amorphous Germania Bilayer Films at the Atomic Scale: Preparation and Characterization.
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- Angewandte Chemie International Edition, 2019, v. 58, n. 32, p. 10903, doi. 10.1002/anie.201903922
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- Article
H<sub>2</sub> Adsorption on Wurtzite ZnO and on ZnO/M(111) (M=Cu, Ag and Au) Bilayer Films.
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- ChemNanoMat, 2019, v. 5, n. 7, p. 932, doi. 10.1002/cnma.201900195
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Role of Nanostructuring on the Properties of Oxide Materials: The Case of Zirconia Nanoparticles.
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- European Journal of Inorganic Chemistry, 2019, v. 2019, n. 6, p. 751, doi. 10.1002/ejic.201801314
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- Article
CO Oxidation Promoted by a Pt<sub>4</sub>/TiO<sub>2</sub> Catalyst: Role of Lattice Oxygen at the Metal/Oxide Interface.
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- Catalysis Letters, 2019, v. 149, n. 2, p. 390, doi. 10.1007/s10562-018-2610-2
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Oxide‐Supported Gold Clusters and Nanoparticles in Catalysis: A Computational Chemistry Perspective.
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- ChemCatChem, 2019, v. 11, n. 1, p. 73, doi. 10.1002/cctc.201801082
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- Article
Nature of Sintering‐Resistant, Single‐Atom Ru Species Dispersed on Zirconia‐Based Catalysts: A DFT and FTIR Study of CO Adsorption.
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- ChemCatChem, 2018, v. 10, n. 12, p. 2634, doi. 10.1002/cctc.201800246
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CO Activation and Hydrogenation: A Comparative DFT Study of Ru/TiO and Cu/TiO Model Catalysts.
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- Catalysis Letters, 2017, v. 147, n. 8, p. 1871, doi. 10.1007/s10562-017-2098-1
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Size-dependent dissociation of small cobalt clusters on ultrathin NaCl films.
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- Nano Research, 2017, v. 10, n. 5, p. 1832, doi. 10.1007/s12274-017-1520-8
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- Article
CO Oxidation on Au Nanoparticles Supported on ZrO<sub>2</sub>: Role of Metal/Oxide Interface and Oxide Reducibility.
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- ChemCatChem, 2017, v. 9, n. 6, p. 1119, doi. 10.1002/cctc.201601486
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Ferromagnetic Interactions in Highly Stable, Partially Reduced TiO<sub>2</sub>: The S=2 State in Anatase.
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- Angewandte Chemie, 2017, v. 129, n. 10, p. 2648, doi. 10.1002/ange.201610973
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Ferromagnetic Interactions in Highly Stable, Partially Reduced TiO<sub>2</sub>: The S=2 State in Anatase.
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- Angewandte Chemie International Edition, 2017, v. 56, n. 10, p. 2604, doi. 10.1002/anie.201610973
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Magnetic properties of nitrogen-doped ZrO<sub>2</sub>: Theoretical evidence of absence of room temperature ferromagnetism.
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- Scientific Reports, 2016, p. 31435, doi. 10.1038/srep31435
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- Article
Role of Oxide Reducibility in the Deoxygenation of Phenol on Ruthenium Clusters Supported on the Anatase Titania (1 0 1) Surface.
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- ChemCatChem, 2016, v. 8, n. 15, p. 2492, doi. 10.1002/cctc.201600457
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Mechanism of the Cyclo-Oligomerisation of C<sub>2</sub>H<sub>2</sub> on Anatase TiO<sub>2</sub> (101) and (001) Surfaces and Their Reduction: An Electron Paramagnetic Resonance and Density Functional Theory Study.
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- ChemPlusChem, 2016, v. 81, n. 1, p. 64, doi. 10.1002/cplu.201500383
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- Article
Atomic Scale Structure and Reduction of Cerium Oxide at the Interface with Platinum.
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- Advanced Materials Interfaces, 2015, v. 2, n. 18, p. n/a, doi. 10.1002/admi.201500375
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A DFT Study of the Reactivity of Anatase TiO<sub>2</sub> and Tetragonal ZrO<sub>2</sub> Stepped Surfaces Compared to the Regular (101) Terraces.
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- ChemPhysChem, 2015, v. 16, n. 17, p. 3642, doi. 10.1002/cphc.201500619
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Methanol Oxidation Reaction on α-Tungsten Carbide Versus Platinum (1 1 1) Surfaces: A DFT Electrochemical Study.
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- ChemCatChem, 2015, v. 7, n. 21, p. 3533, doi. 10.1002/cctc.201500646
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Enhanced CO Oxidation on the Oxide/Metal Interface: From Ultra-High Vacuum to Near-Atmospheric Pressures.
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- ChemCatChem, 2015, v. 7, n. 17, p. 2620, doi. 10.1002/cctc.201500394
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First Principles Calculations on Oxide-Based Heterogeneous Catalysts and Photocatalysts: Problems and Advances.
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- Catalysis Letters, 2015, v. 145, n. 1, p. 80, doi. 10.1007/s10562-014-1386-2
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Two-Dimensional Oxides and Their Role in Electron Transfer Mechanisms with Adsorbed Species.
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- Chemical Record, 2014, v. 14, n. 5, p. 910, doi. 10.1002/tcr.201402002
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Identification of Active Sites in a Realistic Model of Strong Metal-Support Interaction Catalysts: The Case of Platinum (1 1 1)-Supported Iron Oxide Film.
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- ChemCatChem, 2014, v. 6, n. 1, p. 185, doi. 10.1002/cctc.201300642
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Palladium Monomers, Dimers, and Trimers on the MgO(001) Surface Viewed Individually.
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- Asian Journal of Control, 2013, v. 15, n. 6, p. 8703, doi. 10.1002/anie.200702444
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Tungsten Oxide in Catalysis and Photocatalysis: Hints from DFT.
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- Topics in Catalysis, 2013, v. 56, n. 15-17, p. 1404, doi. 10.1007/s11244-013-0147-6
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- Article
Spectroscopic Evidences of Charge Transfer Phenomena and Stabilization of Unusual Phases at Iron Oxide Monolayers Grown on Pt(111).
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- Topics in Catalysis, 2013, v. 56, n. 12, p. 1074, doi. 10.1007/s11244-013-0072-8
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Cover Picture: Direct α-Functionalization of Saturated Cyclic Amines / Two-Dimensional Oxides: Multifunctional Materials for Advanced Technologies / Permanent Porous Materials from Discrete Organic Molecules-Towards Ultra-High Surface Areas / Fluorescent Microporous Organic Polymers: Potential Testbed for Optical Applications / Soft X-ray Imaging and Spectromicroscopy: New Insights in Chemical State and Morphology of the Key Components in Operating Fuel-Cells / Protein Engineering of Stereoselective Baeyer-Villiger Monooxygenases / Merging Organocatalysis and Gold Catalysis-A Critical Evaluation of the Underlying Concepts / Supramolecular-Tilt-Chirality on Twofold Helical Assemblies / CC Bond Formation in Diiron Complexes (Chem. Eur. J. 33/2012)
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- Chemistry - A European Journal, 2012, v. 18, n. 33, p. 10037, doi. 10.1002/chem.201290140
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Two-Dimensional Oxides: Multifunctional Materials for Advanced Technologies.
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- Chemistry - A European Journal, 2012, v. 18, n. 33, p. 10144, doi. 10.1002/chem.201201117
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- Article