Citation Impact
Citing Papers
Isoreticular Metal–Organic Frameworks Confined Mononuclear Ru-Hydrides Enable Highly Efficient Shape-Selective Hydrogenolysis of Polyolefins
2023
Atomic Tuning in Electrically Conducting Bimetallic Organic Frameworks for Controllable Electromagnetic Wave Absorption
2023 StandoutNobel
To address surface reaction network complexity using scaling relations machine learning and DFT calculations
2017
Modular Design of Highly Stable Semiconducting Porous Coordination Polymer for Efficient Electrosynthesis of Ammonia
2024 StandoutNobel
Beyond Mechanical Recycling: Giving New Life to Plastic Waste
2020
QM/MM Methods for Biomolecular Systems
2009 Standout
Monte Carlo Adaptive Resolution Simulation of Multicomponent Molecular Liquids
2013
Rapid atom-efficient polyolefin plastics hydrogenolysis mediated by a well-defined single-site electrophilic/cationic organo-zirconium catalyst
2022
Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir
2012
In situ/operando studies for the production of hydrogen through the water-gas shift on metal oxide catalysts
2013
Density functional theory for transition metals and transition metal chemistry
2009
The role of reticular chemistry in the design of CO2 reduction catalysts
2018 StandoutNobel
Oxidation of ethane to ethanol by N2O in a metal–organic framework with coordinatively unsaturated iron(II) sites
2014
The development of molecule-based porous material families and their future prospects
2022 StandoutNobel
Transition-Path Theory and Path-Finding Algorithms for the Study of Rare Events
2008
Quantitative exploration of the molecular origin of the activation of GTPase
2013 StandoutNobel
Hydroisomerization of n-Hexane Using Acidified Metal–Organic Framework and Platinum Nanoparticles
2017 StandoutNobel
Catalytic methods for chemical recycling or upcycling of commercial polymers
2020
Electrically Conductive Metal–Organic Frameworks
2020
Cu and Cu-Based Nanoparticles: Synthesis and Applications in Catalysis
2016 Standout
Recent Advances in Electrocatalysts for Oxygen Reduction Reaction
2016 Standout
CO2 Adsorption on Anatase TiO2 (101) Surfaces in the Presence of Subnanometer Ag/Pt Clusters: Implications for CO2 Photoreduction
2014
Computer Simulation of Liquids
2017 Standout
Selective extraction and conversion of lignin in actual biomass to monophenols: A review
2016
CuPd Mixed-Metal HKUST-1 as a Catalyst for Aerobic Alcohol Oxidation
2018
The ONIOM Method and Its Applications
2015
Syngas production on a symmetrical solid oxide H2O/CO2 co-electrolysis cell with Sr2Fe1.5Mo0.5O6–Sm0.2Ce0.8O1.9 electrodes
2015
Optimization methods for finding minimum energy paths
2008
Chemicals from lignin: an interplay of lignocellulose fractionation, depolymerisation, and upgrading
2018 Standout
Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles
2018 Standout
State of the Art and Prospects in Metal–Organic Framework (MOF)-Based and MOF-Derived Nanocatalysis
2019 Standout
Progress and Perspectives of Electrochemical CO2 Reduction on Copper in Aqueous Electrolyte
2019 Standout
Catalytic iron-carbene intermediate revealed in a cytochrome c carbene transferase
2018 StandoutNobel
Copper Nanocrystals Encapsulated in Zr-based Metal–Organic Frameworks for Highly Selective CO2 Hydrogenation to Methanol
2016 StandoutNobel
Recent advancements in Pt and Pt-free catalysts for oxygen reduction reaction
2015 Standout
Obtaining reaction coordinates by likelihood maximization
2006
Challenges for Density Functional Theory
2011 Standout
Strictosidine Synthase: Mechanism of a Pictet−Spengler Catalyzing Enzyme
2007
Ultrastable single-atom gold catalysts with strong covalent metal-support interaction (CMSI)
2015
Bright Side of Lignin Depolymerization: Toward New Platform Chemicals
2018 Standout
Welding Metallophthalocyanines into Bimetallic Molecular Meshes for Ultrasensitive, Low-Power Chemiresistive Detection of Gases
2018
Pyrolytic Depolymerization of Polyolefins Catalysed by Zirconium‐based UiO‐66 Metal–Organic Frameworks
2024 StandoutNobel
Oxygen Defects and Surface Chemistry of Ceria: Quantum Chemical Studies Compared to Experiment
2013
Covalent organic frameworks comprising cobalt porphyrins for catalytic CO 2 reduction in water
2015 StandoutScienceNobel
Ion-dependent protein–surface interactions from intrinsic solvent response
2021 StandoutNobel
Catalytic reactions of gamma-valerolactone: A platform to fuels and value-added chemicals
2015
Recent advances in solid oxide cell technology for electrolysis
2020 StandoutScience
Pt-Based Core–Shell Catalyst Architectures for Oxygen Fuel Cell Electrodes
2013
Anatase TiO2 Activated by Gold Nanoparticles for Selective Hydrodeoxygenation of Guaiacol to Phenolics
2016
Catalyst Architecture for Stable Single Atom Dispersion Enables Site-Specific Spectroscopic and Reactivity Measurements of CO Adsorbed to Pt Atoms, Oxidized Pt Clusters, and Metallic Pt Clusters on TiO2
2017
Density functional theory in surface chemistry and catalysis
2011 Standout
A High‐Throughput Approach to Repurposing Olefin Polymerization Catalysts for Polymer Upcycling
2022
Assessing the concept of structure sensitivity or insensitivity for sub-nanometer catalyst materials
2016
Integrated Soft Porosity and Electrical Properties of Conductive‐on‐Insulating Metal‐Organic Framework Nanocrystals
2023 StandoutNobel
Carbon capture and conversion using metal–organic frameworks and MOF-based materials
2019 StandoutNobel
Trends in the Reactivity of Molecular O2 with Copper Clusters: Influence of Size and Shape
2015
CO-Induced Diffusion of Ni Atoms to the Surface of Ni–Au Clusters on TiO2(110)
2011
Sustainable Conversion of Carbon Dioxide: An Integrated Review of Catalysis and Life Cycle Assessment
2017 Standout
What Makes the Photocatalytic CO2 Reduction on N-Doped Ta2O5 Efficient: Insights from Nonadiabatic Molecular Dynamics
2015
Origin of the Chemiresistive Response of Ultrathin Films of Conductive Metal–Organic Frameworks
2018
Three-Dimensional Phthalocyanine Metal-Catecholates for High Electrochemical Carbon Dioxide Reduction
2019 StandoutNobel
Origin of the Chemiresistive Response of Ultrathin Films of Conductive Metal–Organic Frameworks
2018
Application of Adaptive QM/MM Methods to Molecular Dynamics Simulations of Aqueous Systems
2012
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
Design of electrocatalysts for oxygen- and hydrogen-involving energy conversion reactions
2015 Standout
Fine Pore‐Structure Engineering by Ligand Conformational Control of Naphthalene Diimide‐Based Semiconducting Porous Coordination Polymers for Efficient Chemiresistive Gas Sensing
2022 StandoutNobel
Growth mechanisms and anisotropic softness–dependent conductivity of orientation-controllable metal–organic framework nanofilms
2023 StandoutNobel
Catalytic Dehydrogenation of Light Alkanes on Metals and Metal Oxides
2014 Standout
A review of high temperature co-electrolysis of H2O and CO2to produce sustainable fuels using solid oxide electrolysis cells (SOECs): advanced materials and technology
2017
A Pictet-Spengler ligation for protein chemical modification
2012 StandoutNobel
Green and Sustainable Solvents in Chemical Processes
2018 Standout
Spectroscopy, microscopy, diffraction and scattering of archetypal MOFs: formation, metal sites in catalysis and thin films
2020
Highly Active and Stable Single-Atom Cu Catalysts Supported by a Metal–Organic Framework
2019 StandoutNobel
Making C–C Bonds with Gold: Identification of Selective Gold Sites for Homo- and Cross-Coupling Reactions between Iodobenzene and Alkynes
2012
Promoting Lignin Depolymerization and Restraining the Condensation via an Oxidation−Hydrogenation Strategy
2017
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Synthesis and Stability of Pd@CeO2 Core–Shell Catalyst Films in Solid Oxide Fuel Cell Anodes
2013
Unraveling the Role of Low Coordination Sites in a Cu Metal Nanoparticle: A Step toward the Selective Synthesis of Second Generation Biofuels
2014
Recent Advances in Electrocatalytic Hydrogen Evolution Using Nanoparticles
2019 Standout
Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction
2018 Standout
Enhanced activity for supported Au clusters: Methanol oxidation on Au/TiO2(110)
2012
Energy related CO2 conversion and utilization: Advanced materials/nanomaterials, reaction mechanisms and technologies
2017
Review of Pt-Based Bimetallic Catalysis: From Model Surfaces to Supported Catalysts
2012
Graphitic Carbon Nitride (g-C3N4)-Based Photocatalysts for Artificial Photosynthesis and Environmental Remediation: Are We a Step Closer To Achieving Sustainability?
2016 Standout
Bioinspired Metal–Organic Framework Catalysts for Selective Methane Oxidation to Methanol
2018 StandoutNobel
Structures and Energetics of Pt Clusters on TiO2: Interplay between Metal–Metal Bonds and Metal–Oxygen Bonds
2012
Phenomena Affecting Catalytic Reactions at Solid–Liquid Interfaces
2016
A new C=C embedded porphyrin sheet with superior oxygen reduction performance
2015
From Molecules to Frameworks to Superframework Crystals
2021 StandoutNobel
Chemical upcycling of polyethylene, polypropylene, and mixtures to high-value surfactants
2023 Science
Cocatalysts for Selective Photoreduction of CO2into Solar Fuels
2019 Standout
Fundamentals and Catalytic Applications of CeO2-Based Materials
2016 Standout
Ab initio correlation functionals from second-order perturbation theory
2006
Probing β-alkyl elimination and selectivity in polyolefin hydrogenolysis through DFT
2021
Coupling different levels of resolution in molecular simulations
2010
Catalytic dehydrogenation of propane over iron-silicate zeolites
2014
Theoretical Insight into Gate-Opening Adsorption Mechanism and Sigmoidal Adsorption Isotherm into Porous Coordination Polymer
2018 StandoutNobel
Hamiltonian Adaptive Resolution Simulation for Molecular Liquids
2013
Metal-organic-framework derived controllable synthesis of mesoporous copper-cerium oxide composite catalysts for the preferential oxidation of carbon monoxide
2018
Heterocyclic Nanographenes and Other Polycyclic Heteroaromatic Compounds: Synthetic Routes, Properties, and Applications
2016 Standout
Reactivity of Surface Species in Heterogeneous Catalysts Probed by In Situ X-ray Absorption Techniques
2013
Investigating the Role of Copper Oxide in Electrochemical CO2 Reduction in Real Time
2018
Making C–C Bonds with Gold Catalysts: A Theoretical Study of the Influence of Gold Particle Size on the Dissociation of the C–X Bond in Aryl Halides
2014
Direct conversion of carbohydrates to γ-valerolactone facilitated by a solvent effect
2015
Hydroformylation of pyrolysis oils to aldehydes and alcohols from polyolefin waste
2023 Science
A Dual‐Ligand Porous Coordination Polymer Chemiresistor with Modulated Conductivity and Porosity
2019 StandoutNobel
Active sites for CO 2 hydrogenation to methanol on Cu/ZnO catalysts
2017 StandoutScience
Perovskites in catalysis and electrocatalysis
2017 StandoutScience
Understanding the Structure–Activity Relationships in Catalytic Conversion of Polyolefin Plastics by Zeolite-Based Catalysts: A Critical Review
2022
Atomically Precise Clusters of Noble Metals: Emerging Link between Atoms and Nanoparticles
2017 Standout
A review on the upgradation techniques of pyrolysis oil
2016
Theoretical Simulation of n-Alkane Cracking on Zeolites
2010
Works of Andreas Heyden being referenced
Active Sites in Copper-Based Metal–Organic Frameworks: Understanding Substrate Dynamics, Redox Processes, and Valence-Band Structure
2015
On the Importance of the Associative Carboxyl Mechanism for the Water-Gas Shift Reaction at Pt/CeO2 Interface Sites
2014
Solving the equations of motion for mixed atomistic and coarse-grained systems
2009
Nitrous Oxide Decomposition over Fe-ZSM-5 in the Presence of Nitric Oxide: A Comprehensive DFT Study
2006
Solvation Effects in the Hydrodeoxygenation of Propanoic Acid over a Model Pd(211) Catalyst
2016
Uncertainty Quantification Framework Applied to the Water–Gas Shift Reaction over Pt-Based Catalysts
2016
New Implicit Solvation Scheme for Solid Surfaces
2012
Ni modified ceramic anodes for solid oxide fuel cells
2011
Solvent effects on the hydrodeoxygenation of propanoic acid over Pd(111) model surfaces
2013
A Reaction Mechanism for the Nitrous Oxide Decomposition on Binuclear Oxygen Bridged Iron Sites in Fe-ZSM-5
2007
Nature of Ptn/TiO2(110) Interface under Water-Gas Shift Reaction Conditions: A Constrained ab Initio Thermodynamics Study
2011
Theoretical Investigation of the Reaction Mechanism of the Guaiacol Hydrogenation over a Pt(111) Catalyst
2015
Theoretical Investigation of H2Oxidation on the Sr2Fe1.5Mo0.5O6(001) Perovskite Surface under Anodic Solid Oxide Fuel Cell Conditions
2014
β-O-4 Bond Cleavage Mechanism for Lignin Model Compounds over Pd Catalysts Identified by Combination of First-Principles Calculations and Experiments
2016
A growing string method for determining transition states: Comparison to the nudged elastic band and string methods
2004
Electronic Properties of Bimetallic Metal–Organic Frameworks (MOFs): Tailoring the Density of Electronic States through MOF Modularity
2017
Tight-Binding Configuration Interaction (TBCI): A Noniterative Approach to Incorporating Electrostatics into Tight Binding
2008
Comprehensive DFT Study of Nitrous Oxide Decomposition over Fe-ZSM-5
2005
Efficient methods for finding transition states in chemical reactions: Comparison of improved dimer method and partitioned rational function optimization method
2005
Upcycling Single-Use Polyethylene into High-Quality Liquid Products
2019
Adsorbate-Induced Changes in the Surface Composition of Bimetallic Clusters: Pt−Au on TiO2(110)
2010
Nature of Ptn/CeO2(111) Surface under Water–Gas Shift Reaction Conditions: A Constrained ab Initio Thermodynamics Study
2012
Analysis of Kinetics and Reaction Pathways in the Aqueous-Phase Hydrogenation of Levulinic Acid To Form γ-Valerolactone over Ru/C
2014
Water–Gas Shift Catalysis at Corner Atoms of Pt Clusters in Contact with a TiO2(110) Support Surface
2014
Modeling the noble metal/TiO2 (110) interface with hybrid DFT functionals: A periodic electrostatic embedded cluster model study
2010
Size-Controlled Nanoparticles Embedded in a Mesoporous Architecture Leading to Efficient and Selective Hydrogenolysis of Polyolefins
2022
Conservative Algorithm for an Adaptive Change of Resolution in Mixed Atomistic/Coarse-Grained Multiscale Simulations
2008
Adaptive Partitioning in Combined Quantum Mechanical and Molecular Mechanical Calculations of Potential Energy Functions for Multiscale Simulations
2007
Comprehensive DFT Study of Nitrous Oxide Decomposition over Fe-ZSM-5
2005
Catalytic upcycling of high-density polyethylene via a processive mechanism
2020
Solvent effects in the liquid phase hydrodeoxygenation of methyl propionate over a Pd(1 1 1) catalyst model
2015
Microkinetic modeling of nitrous oxide decomposition on dinuclear oxygen bridged iron sites in Fe-ZSM-5
2007
Theoretical investigation of the reaction mechanism of the hydrodeoxygenation of guaiacol over a Ru(0 0 0 1) model surface
2014
Investigation of the high-temperature redox chemistry of Sr2Fe1.5Mo0.5O6−δvia in situ neutron diffraction
2014