Citation Impact
Citing Papers
When Polymorphism in Metal–Organic Frameworks Enables Water Sorption Profile Tunability for Enhancing Heat Allocation and Water Harvesting Performance
2023
Local Electronic Structure of Molecular Heterojunctions in a Single‐Layer 2D Covalent Organic Framework
2018 StandoutNobel
Atomically Thin MoS 2 : A New Direct-Gap Semiconductor
2010 Standout
A Microporous Metal–Organic Framework for Gas‐Chromatographic Separation of Alkanes
2006 StandoutNobel
Size-dependent structure of MoS2 nanocrystals
2007
Anatase TiO2 single crystals with a large percentage of reactive facets
2008 StandoutNature
High-mobility three-atom-thick semiconducting films with wafer-scale homogeneity
2015 StandoutNature
Ab‐initiosimulations of materials using VASP: Density‐functional theory and beyond
2008 Standout
Computational high-throughput screening of electrocatalytic materials for hydrogen evolution
2006 Standout
Density functional theory for transition metals and transition metal chemistry
2009
Steps on anatase TiO2(101)
2006
Low-temperature carbon monoxide oxidation catalysed by regenerable atomically dispersed palladium on alumina
2014
Electrocatalyst approaches and challenges for automotive fuel cells
2012 StandoutNature
Nanostructured hydrotreating catalysts for electrochemical hydrogen evolution
2014 Standout
Piezoelectricity of single-atomic-layer MoS2 for energy conversion and piezotronics
2014 StandoutNature
Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
2012 Standout
Anatase TiO2 single crystals with exposed {001} and {110} facets: facile synthesis and enhanced photocatalysis
2010
Towards the computational design of solid catalysts
2009 Standout
Tailoring iron complexes for ethylene oligomerization and/or polymerization
2012
Use of DFT to achieve a rational understanding of acid?basic properties of ?-alumina surfaces
2004
Probing the Optical Property and Electronic Structure of TiO2Nanomaterials for Renewable Energy Applications
2014
2-(1-(Arylimino)ethyl)-8-arylimino-5,6,7-trihydroquinoline Iron(II) Chloride Complexes: Synthesis, Characterization, and Ethylene Polymerization Behavior
2012
Iron Catalysis in Organic Synthesis
2015 Standout
Identification of Active Edge Sites for Electrochemical H 2 Evolution from MoS 2 Nanocatalysts
2007 StandoutScience
Chemistry of and on TiO2-anatase surfaces by DFT calculations: a partial review
2006
Fe, Co, and Ni ions promote the catalytic activity of amorphous molybdenum sulfide films for hydrogen evolution
2012
Theoretical insights into the hydrogen evolution activity of layered transition metal dichalcogenides
2015
Anatase-TiO2 Nanomaterials: Analysis of Key Parameters Controlling Crystallization
2007
Metal–Organic Frameworks with Precisely Designed Interior for Carbon Dioxide Capture in the Presence of Water
2014 StandoutNobel
Unconventional, Highly Selective CO2 Adsorption in Zeolite SSZ-13
2012
Solar Water Splitting Cells
2010 Standout
Adsorbents for the post-combustion capture of CO2 using rapid temperature swing or vacuum swing adsorption
2012
Dye-Sensitized Solar Cells
2010 Standout
Combining theory and experiment in electrocatalysis: Insights into materials design
2017 StandoutScience
Fine-Scale Nanostructure in γ-Al2O3
2006
Atomic-Resolution in Situ Transmission Electron Microscopy of a Promoter of a Heterogeneous Catalyst
2001 Science
Understanding Carbon Dioxide Adsorption on Univalent Cation Forms of the Flexible Zeolite Rho at Conditions Relevant to Carbon Capture from Flue Gases
2012
Photocatalytic degradation of phenolic compounds with new TiO2 catalysts
2010
Shaping the Water-Harvesting Behavior of Metal–Organic Frameworks Aided by Fine-Tuned GPT Models
2023 StandoutNobel
Intrinsic Structural Defects in Monolayer Molybdenum Disulfide
2013 Standout
Magnetic Iron Oxide Nanoparticles: Synthesis, Stabilization, Vectorization, Physicochemical Characterizations, and Biological Applications
2008 Standout
Transition metal phosphide hydroprocessing catalysts: A review
2008
Atomic-scale insight into adsorption of sterically hindered dibenzothiophenes on MoS2 and Co–Mo–S hydrotreating catalysts
2012
Hierarchically porous materials: synthesis strategies and structure design
2016 Standout
TiO2 Band Shift by Nitrogen-Containing Heterocycles in Dye-Sensitized Solar Cells: a Periodic Density Functional Theory Study
2008
Screening Lewis Pair Moieties for Catalytic Hydrogenation of CO2 in Functionalized UiO-66
2015
The Chemistry of CO2 Capture in an Amine-Functionalized Metal–Organic Framework under Dry and Humid Conditions
2017 StandoutNobel
Lignin Valorization: Improving Lignin Processing in the Biorefinery
2014 StandoutScience
The Reaction Mechanism with Free Energy Barriers for Electrochemical Dihydrogen Evolution on MoS2
2015
Density functional theory in surface chemistry and catalysis
2011 Standout
Cluster−Support Interactions and Morphology of MoS2 Nanoclusters in a Graphite-Supported Hydrotreating Model Catalyst
2006
Tracer Chromatographic Study of Pore and Pore Mouth Adsorption of Linear and Monobranched Alkanes on ZSM-22 Zeolite
2002
Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding
2012
Atomic and electronic structure ofMoS 2
2003
Desulfurization Reactions on Ni2P(001) and α-Mo2C(001) Surfaces: Complex Role of P and C Sites
2005
Probing zeolites by vibrational spectroscopies
2015
Relating adatom emission to improved durability of Pt–Pd diesel oxidation catalysts
2015
Photochemical route for synthesizing atomically dispersed palladium catalysts
2016 StandoutScience
HYDROGEN ACTIVATION BY TRANSITION METAL SULFIDES
2002
Carbon capture and conversion using metal–organic frameworks and MOF-based materials
2019 StandoutNobel
The morphology of MoS2, WS2, Co–Mo–S, Ni–Mo–S and Ni–W–S nanoclusters in hydrodesulfurization catalysts revealed by HAADF-STEM
2007
Coordinatively Unsaturated Al 3+ Centers as Binding Sites for Active Catalyst Phases of Platinum on γ-Al 2 O 3
2009 Science
Reaction Network of Methanol Synthesis over Cu/ZnO Nanocatalysts
2015
Single Crystals Heterogeneity Impacts the Intrinsic and Extrinsic Properties of Metal–Organic Frameworks
2021 StandoutNobel
Recent advances in layered transition metal dichalcogenides for hydrogen evolution reaction
2013
Growth mechanisms and anisotropic softness–dependent conductivity of orientation-controllable metal–organic framework nanofilms
2023 StandoutNobel
2D Transition‐Metal‐Dichalcogenide‐Nanosheet‐Based Composites for Photocatalytic and Electrocatalytic Hydrogen Evolution Reactions
2015
The Origin of the Activity of Amine‐Functionalized Metal–Organic Frameworks in the Catalytic Synthesis of Cyclic Carbonates from Epoxide and CO2
2012
The Brønsted–Evans–Polanyi relation and the volcano curve in heterogeneous catalysis
2004
Photocatalytic CO2 Reduction by Carbon-Coated Indium-Oxide Nanobelts
2017 StandoutNobel
Linking Molybdenum–Sulfur Clusters for Electrocatalytic Hydrogen Evolution
2018 StandoutNobel
How Doped MoS2 Breaks Transition-Metal Scaling Relations for CO2 Electrochemical Reduction
2016
Atomic‐Scale Edge Structures on Industrial‐Style MoS2 Nanocatalysts
2011
Carbon Dioxide Capture Chemistry of Amino Acid Functionalized Metal–Organic Frameworks in Humid Flue Gas
2022 StandoutNobel
Highly Active and Stable Single-Atom Cu Catalysts Supported by a Metal–Organic Framework
2019 StandoutNobel
Enhancing Hydrogen Evolution Activity in Water Splitting by Tailoring Li + -Ni(OH) 2 -Pt Interfaces
2011 StandoutScience
Unified Approach to Imidodiphosphate-Type Brønsted Acids with Tunable Confinement and Acidity
2021 StandoutNobel
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Structural, electronic, and surface properties of anataseTiO 2
2008
Size tailoring of oxide nanoparticles by precipitation in aqueous medium. A semi-quantitative modelling
2004
Hydrodesulfurization reaction pathways on MoS2 nanoclusters revealed by scanning tunneling microscopy
2004
Brønsted Acidity in Metal–Organic Frameworks
2015 StandoutNobel
Lithium Insertion and Transport in the TiO2−B Anode Material: A Computational Study
2009
Semiconductor-based Photocatalytic Hydrogen Generation
2010 Standout
Cascade charge separation mechanism by ternary heterostructured BiPO4/TiO2/g-C3N4 photocatalyst
2015
Graphene, related two-dimensional crystals, and hybrid systems for energy conversion and storage
2015 StandoutScience
Recent STM, DFT and HAADF-STEM studies of sulfide-based hydrotreating catalysts: Insight into mechanistic, structural and particle size effects
2007
Realistic Cluster Modeling of Electron Transport and Trapping in Solvated TiO2 Nanoparticles
2012 StandoutNobel
Titanium Dioxide Photocatalysis in Atmospheric Chemistry
2012
Designed amyloid fibers as materials for selective carbon dioxide capture
2013 StandoutNobel
CO2 adsorption and activation over γ-Al2O3-supported transition metal dimers: A density functional study
2009
Nitrogen-Doped Titanium Dioxide as Visible-Light-Sensitive Photocatalyst: Designs, Developments, and Prospects
2014
Non‐Innocent Ligands: New Opportunities in Iron Catalysis
2011
Graphitic Carbon Nitride (g-C3N4)-Based Photocatalysts for Artificial Photosynthesis and Environmental Remediation: Are We a Step Closer To Achieving Sustainability?
2016 Standout
Acid Catalysts in Industrial Hydrocarbon Chemistry
2007
Thermally stable single-atom platinum-on-ceria catalysts via atom trapping
2016 StandoutScience
In Situ/Operando Electrocatalyst Characterization by X-ray Absorption Spectroscopy
2020
Low concentration CO2 capture using physical adsorbents: Are metal–organic frameworks becoming the new benchmark materials?
2016
Anatase-TiO2 Nanomaterials: Morphological/Size Dependence of the Crystallization and Phase Behavior Phenomena
2006
High-performance transition metal–doped Pt 3 Ni octahedra for oxygen reduction reaction
2015 StandoutScience
Hydrogen evolution catalysis by molybdenum sulfides (MoSx): are thiomolybdate clusters like [Mo3S13]2− suitable active site models?
2018
Operando Synchrotron X‐ray Powder Diffraction and Modulated‐Excitation Infrared Spectroscopy Elucidate the CO2 Promotion on a Commercial Methanol Synthesis Catalyst
2016
Theoretical Study of the MoS2(100) Surface: A Chemical Potential Analysis of Sulfur and Hydrogen Coverage
2000
Atomic-Scale Structure of Single-LayerMoS 2
2000
Advanced Nanoarchitectures for Solar Photocatalytic Applications
2011 Standout
Solvothermal Synthesis and Photoreactivity of Anatase TiO2 Nanosheets with Dominant {001} Facets
2009
Why Is Bulk Thermochemistry a Good Descriptor for the Electrocatalytic Activity of Transition Metal Oxides?
2014
Reactivity of Surface Species in Heterogeneous Catalysts Probed by In Situ X-ray Absorption Techniques
2013
Operando Characterization of an Amorphous Molybdenum Sulfide Nanoparticle Catalyst during the Hydrogen Evolution Reaction
2014
Effect of surface hydroxyls on selective CO2 hydrogenation over Ni4/γ-Al2O3: A density functional theory study
2010
Adsorption of Carbon Dioxide for Post-combustion Capture: A Review
2021
Electronic Properties of MoS2 Nanoparticles
2007
Lignin Pyrolysis Components and Upgrading—Technology Review
2013
Active sites for CO 2 hydrogenation to methanol on Cu/ZnO catalysts
2017 StandoutScience
The Structure of Ferrihydrite, a Nanocrystalline Material
2007 StandoutScience
MoS2 nanoparticle morphologies in hydrodesulfurization catalysis studied by scanning tunneling microscopy
2013
Perovskites in catalysis and electrocatalysis
2017 StandoutScience
Water photolysis at 12.3% efficiency via perovskite photovoltaics and Earth-abundant catalysts
2014 StandoutScience
Biomimetic Hydrogen Evolution: MoS2Nanoparticles as Catalyst for Hydrogen Evolution
2005 Standout
Titanium Dioxide Crystals with Tailored Facets
2014
Operando Synchrotron X‐ray Powder Diffraction and Modulated‐Excitation Infrared Spectroscopy Elucidate the CO2 Promotion on a Commercial Methanol Synthesis Catalyst
2016
Works of Pascal Raybaud being referenced
First principles surface thermodynamics of industrial supported catalysts in working conditions
2008
Acidity of Amorphous Silica–Alumina: From Coordination Promotion of Lewis Sites to Proton Transfer
2009
The role of the extra-framework cations in the adsorption of CO2 on faujasite Y
2010
CO adsorption on amorphous silica–alumina: electrostatic or Brønsted acidity probe?
2012
Ab Initio Study of the H2–H2S/MoS2 Gas–Solid Interface: The Nature of the Catalytically Active Sites
2000
From γ-alumina to supported platinum nanoclusters in reforming conditions: 10years of DFT modeling and beyond
2013
Beyond γ-Al2O3 crystallite surfaces: The hidden features of edges revealed by solid-state 1H NMR and DFT calculations
2019
Structure, Energetics, and Electronic Properties of the Surface of a Promoted MoS2 Catalyst: An ab Initio Local Density Functional Study
2000
Shape and Edge Sites Modifications of MoS2 Catalytic Nanoparticles Induced by Working Conditions: A Theoretical Study
2002
Hydrodeoxygenation pathways catalyzed by MoS2 and NiMoS active phases: A DFT study
2011
Anionic or Cationic S-Doping in Bulk Anatase TiO2: Insights on Optical Absorption from First Principles Calculations
2013
Optimal promoter edge decoration of CoMoS catalysts: A combined theoretical and experimental study
2007
Ab initiodensity functional studies of transition-metal sulphides: I. Crystal structure and cohesive properties
1997
Influence of H2S on the hydrogenation activity of relevant transition metal sulfides
2004
Structural and electronic properties of the MoS2(1010) edge-surface
1998
DFT makes the morphologies of anatase-TiO2 nanoparticles visible to IR spectroscopy
2005
Adsorption of Thiophene on the Catalytically Active Surface ofMoS 2
1998
The Origin of the C7-Hydroconversion Selectivities on Y, β, ZSM-22, ZSM-23, and EU-1 Zeolites
2001
A density functional theory comparison of anatase (TiO2)- and γ-Al2O3-supported MoS2 catalysts
2005
Free-energy profiles along reduction pathways of MoS2 M-edge and S-edge by dihydrogen: A first-principles study
2011
Iron bis(arylimino)pyridine precursors activated to catalyze ethylene oligomerization as studied by DFT and QSAR approaches
2009
Deoxygenation mechanisms on Ni-promoted MoS2 bulk catalysts: A combined experimental and theoretical study
2011
Nucleation ofPd n ( n = 1 – 5 ) γ − Al 2 O 3
2007
Effects of morphology on surface hydroxyl concentration: a DFT comparison of anatase–TiO2 and γ-alumina catalytic supports
2004
Theoretical Unraveling of Selective 1-Butene Oligomerization Catalyzed by Iron−Bis(arylimino)pyridine
2009
Influence of the Hydroxylation of γ-Al2O3Surfaces on the Stability and Diffusion of Single Pd Atoms: A DFT Study
2006
Atomic Description of the Interface between Silica and Alumina in Aluminosilicates through Dynamic Nuclear Polarization Surface-Enhanced NMR Spectroscopy and First-Principles Calculations
2015
Transition metals to sulfur binding energies relationship to catalytic activities in HDS: back to Sabatier with first principle calculations1This work has been undertaken within the “GdR Dynamique Moléculaire Quantique Appliquée à la Catalyse”, a joint project of Centre National de la Recherche Scientifique, Technische Universität Wien, and Institut Français du Pétrole.1
1999
Periodic trends in the selective hydrogenation of styrene over silica supported metal catalysts
2013
Temperature-programmed reduction of unpromoted MoS2-based hydrodesulfurization catalysts: First-principles kinetic Monte Carlo simulations and comparison with experiments
2010
Mixed sites and promoter segregation: A DFT study of the manifestation of Le Chatelier's principle for the Co(Ni)MoS active phase in reaction conditions
2007
Interplay between molecular adsorption and metal–support interaction for small supported metal clusters: CO and C2H4 adsorption on Pd4/γPd4/γ-Al2O3
2007
In Silico Prediction of Catalytic Oligomerization Degrees
2011
Adsorption of Unsaturated Hydrocarbons on Pd(111) and Pt(111): A DFT Study
2003
Morphology and Surface Properties of Boehmite (γ-AlOOH): A Density Functional Theory Study
2001
Origin of the Enhanced Visible-Light Absorption in N-Doped Bulk Anatase TiO2 from First-Principles Calculations
2011
Theoretical Study of the Dehydration Process of Boehmite to γ-Alumina
2001
Hydroxyl Groups on γ-Alumina Surfaces: A DFT Study
2002
Edge wetting effects of γ-Al2O3 and anatase-TiO2 supports by MoS2 and CoMoS active phases: A DFT study
2007
Periodic trends in hydrodesulfurization: in support of the Sabatier principle
2002
Regioselectivity of Al–O Bond Hydrolysis during Zeolites Dealumination Unified by Brønsted–Evans–Polanyi Relationship
2014
H2‐Induced Reconstruction of Supported Pt Clusters: Metal–Support Interaction versus Surface Hydride
2010
Evidence for the Iron(III) Oxidation State in Bis(imino)pyridine Catalysts. A Density Functional Theory Study
2008
Promoter Sensitive Shapes of Co(Ni)MoS Nanocatalysts in Sulfo-Reductive Conditions
2002
Atomic Scale Insights on Chlorinated γ-Alumina Surfaces
2008
Understanding and predicting improved sulfide catalysts: Insights from first principles modeling
2007
Kinetic interpretation of catalytic activity patterns based on theoretical chemical descriptors
2003