On the public citation graph

On the behavior of Brønsted-Evans-Polanyi relations for transition metal oxides

https://doi.org/10.1063/1.3602323
0 signed · 197 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.
Claim with ORCID
Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/(sici)1097-461x(1999)75:4/5<889::aid-qua54>3.0.co;2-8openalex-snapshot
Molecular and solid-state tests of density functional approximations: LSD, GGAs, and meta-GGAs
inferredcites →https://doi.org/10.1002/anie.200705739openalex-snapshot
Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces
inferredcites →https://doi.org/10.1002/anie.200801479openalex-snapshot
Trends in the Catalytic CO Oxidation Activity of Nanoparticles
inferredcites →https://doi.org/10.1002/cctc.200900194openalex-snapshot
Volcano Relation for the Deacon Process over Transition‐Metal Oxides
inferredcites →https://doi.org/10.1006/jcat.1999.2724openalex-snapshot
Electronic Factors Governing Ethylene Hydrogenation and Dehydrogenation Activity of Pseudomorphic PdML/Re(0001), PdML/Ru(0001), Pd(111), and PdML/Au(111) Surfaces
inferredcites →https://doi.org/10.1006/jcat.2000.3087openalex-snapshot
The Brønsted–Evans–Polanyi Relation and the Volcano Plot for Ammonia Synthesis over Transition Metal Catalysts
inferredcites →https://doi.org/10.1006/jcat.2002.3615openalex-snapshot
Universality in Heterogeneous Catalysis
inferredcites →https://doi.org/10.1007/s10562-005-0014-6openalex-snapshot
Density Functional Study of the CO Oxidation on a Doped Rutile TiO2(110): Effect of Ionic Au in Catalysis
inferredcites →https://doi.org/10.1007/s10562-010-0477-yopenalex-snapshot
Universal Brønsted-Evans-Polanyi Relations for C–C, C–O, C–N, N–O, N–N, and O–O Dissociation Reactions
inferredcites →https://doi.org/10.1016/j.jcat.2004.02.034openalex-snapshot
The Brønsted–Evans–Polanyi relation and the volcano curve in heterogeneous catalysis
inferredcites →https://doi.org/10.1016/j.jcat.2006.10.009openalex-snapshot
Catalysis by doped oxides: CO oxidation by AuxCe1−xO2
inferredcites →https://doi.org/10.1016/j.jelechem.2006.11.008openalex-snapshot
Electrolysis of water on oxide surfaces
inferredcites →https://doi.org/10.1016/j.surfrep.2007.03.002openalex-snapshot
Oxygen vacancies in transition metal and rare earth oxides: Current state of understanding and remaining challenges
inferredcites →https://doi.org/10.1016/s0039-6028(96)01286-1openalex-snapshot
Density functional cluster studies on the (010) surface of vanadium pentoxide
inferredcites →https://doi.org/10.1021/cr60019a001openalex-snapshot
Acid and Basic Catalysis.
inferredcites →https://doi.org/10.1021/cr980129fopenalex-snapshot
Chemical Structures and Performance of Perovskite Oxides
inferredcites →https://doi.org/10.1021/ja027366ropenalex-snapshot
Identification of General Linear Relationships between Activation Energies and Enthalpy Changes for Dissociation Reactions at Surfaces
inferredcites →https://doi.org/10.1021/jp046540qopenalex-snapshot
Surface and Subsurface Hydrogen: Adsorption Properties on Transition Metals and Near-Surface Alloys
inferredcites →https://doi.org/10.1021/jp047349jopenalex-snapshot
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
inferredcites →https://doi.org/10.1021/jp805244kopenalex-snapshot
Insights into the Staggered Nature of Hydrogenation Reactivity over the 4d Transition Metals
inferredcites →https://doi.org/10.1039/b800260fopenalex-snapshot
The nature of the active site in heterogeneous metal catalysis
inferredcites →https://doi.org/10.1039/tf9383400011openalex-snapshot
Inertia and driving force of chemical reactions
inferredcites →https://doi.org/10.1063/1.1372512openalex-snapshot
General trends in CO dissociation on transition metal surfaces
inferredcites →https://doi.org/10.1063/1.2819245openalex-snapshot
Modeling doped and defective oxides in catalysis with density functional theory methods: Room for improvements
inferredcites →https://doi.org/10.1063/1.2832324openalex-snapshot
C–H bond activation over metal oxides: A new insight into the dissociation kinetics from density functional theory
inferredcites →https://doi.org/10.1073/pnas.1006652108openalex-snapshot
Density functional theory in surface chemistry and catalysis
inferredcites →https://doi.org/10.1088/0965-0393/17/8/084001openalex-snapshot
Issues in first-principles calculations for defects in semiconductors and oxides
inferredcites →https://doi.org/10.1103/physrevb.41.7892openalex-snapshot
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
inferredcites →https://doi.org/10.1103/physrevb.59.12301openalex-snapshot
Dipole correction for surface supercell calculations
inferredcites →https://doi.org/10.1103/physrevb.59.7413openalex-snapshot
Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
inferredcites →https://doi.org/10.1103/physrevb.65.035406openalex-snapshot
Composition, structure, and stability of RuO 2 ( 110 ) as a function of oxygen pressure
inferredcites →https://doi.org/10.1103/physrevb.73.195107openalex-snapshot
Oxidation energies of transition metal oxides within the GGA + U framework
inferredcites →https://doi.org/10.1103/physrevb.75.035115openalex-snapshot
First-principles LDA + U and GGA + U study of cerium oxides: Dependence on the effective U parameter
inferredcites →https://doi.org/10.1103/physrevb.79.045120openalex-snapshot
Formation energies of rutile metal dioxides using density functional theory
inferredcites →https://doi.org/10.1103/physrevlett.103.146103openalex-snapshot
From Electronic Structure to Catalytic Activity: A Single Descriptor for Adsorption and Reactivity on Transition-Metal Carbides
inferredcites →https://doi.org/10.1103/physrevlett.93.225502openalex-snapshot
First Principles Analysis of the Stability and Diffusion of Oxygen Vacancies in Metal Oxides
inferredcites →https://doi.org/10.1103/physrevlett.99.016105openalex-snapshot
Scaling Properties of Adsorption Energies for Hydrogen-Containing Molecules on Transition-Metal Surfaces
inferredcites →https://doi.org/10.1103/revmodphys.80.3openalex-snapshot
Orbital-dependent density functionals: Theory and applications
inferredcites →https://doi.org/10.1109/5992.998641openalex-snapshot
An object-oriented scripting interface to a legacy electronic structure code

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4705764openalex-extracted
Reactivity Descriptors for Initial C–H Activation During the Partial Oxidation of C1–C3 Alkanes Over V2o5 and Mg-Vanadate Surfaces
inferred← citeshttps://doi.org/10.1002/9781118892114.ch6openalex-snapshot
Energy Trends in Catalysis
inferred← citeshttps://doi.org/10.1002/aenm.201401082openalex-snapshot
Design Principles for Metal Oxide Redox Materials for Solar‐Driven Isothermal Fuel Production
inferred← citeshttps://doi.org/10.1002/ange.201306620openalex-snapshot
Der Einfluss von strukturellen Spannungen auf die Reaktivität von getragenen Metalloxidkatalysatoren
inferred← citeshttps://doi.org/10.1002/ange.201410738openalex-snapshot
Heterogene Katalysatoren – fundamental betrachtet
inferred← citeshttps://doi.org/10.1002/ange.201601049openalex-snapshot
Analyzing the Case for Bifunctional Catalysis
inferred← citeshttps://doi.org/10.1002/anie.201306620openalex-snapshot
How Strain Affects the Reactivity of Surface Metal Oxide Catalysts
inferred← citeshttps://doi.org/10.1002/anie.201410738openalex-snapshot
Heterogeneous Catalysis
inferred← citeshttps://doi.org/10.1002/anie.201601049openalex-snapshot
Analyzing the Case for Bifunctional Catalysis
inferred← citeshttps://doi.org/10.1002/cctc.201200140openalex-snapshot
Volcano Relations for Oxidation of Hydrogen Halides over Rutile Oxide Surfaces
inferred← citeshttps://doi.org/10.1002/cctc.201300553openalex-snapshot
Core–Shell Nanocatalyst Design by Combining High‐Throughput Experiments and First‐Principles Simulations
inferred← citeshttps://doi.org/10.1002/cctc.201601662openalex-snapshot
A New Type of Scaling Relations to Assess the Accuracy of Computational Predictions of Catalytic Activities Applied to the Oxygen Evolution Reaction
inferred← citeshttps://doi.org/10.1002/cctc.202001284openalex-snapshot
Microwave‐heated γ‐Alumina Applied to the Reduction of Aldehydes to Alcohols
inferred← citeshttps://doi.org/10.1002/cphc.201600049openalex-snapshot
Metal–Oxygen Bond Ionicity as an Efficient Descriptor for Doped NiOOH Photocatalytic Activity
inferred← citeshttps://doi.org/10.1002/jcc.26464openalex-snapshot
CATKINAS : A large‐scale catalytic microkinetic analysis software for mechanism auto‐analysis and catalyst screening
inferred← citeshttps://doi.org/10.1002/qua.26380openalex-snapshot
Acceleration of catalyst discovery with easy, fast, and reproducible computational alchemy
inferred← citeshttps://doi.org/10.1002/slct.201600135openalex-snapshot
Designing efficient doped NiOOH catalysts for water splitting with first principles calculations
inferred← citeshttps://doi.org/10.1002/smtd.202501542openalex-snapshot
Methodological Frameworks for Computational Electrocatalysis: From Theory to Practice
inferred← citeshttps://doi.org/10.1002/wcms.1540openalex-snapshot
Dimensionality reduction of complex reaction networks in heterogeneous catalysis: From l inear‐scaling relationships to statistical learning techniques
inferred← citeshttps://doi.org/10.1007/978-3-319-44680-6_2openalex-snapshot
Energy Trends in Adsorption at Surfaces
inferred← citeshttps://doi.org/10.1007/978-3-319-50257-1_2-1openalex-snapshot
Energy Trends in Adsorption at Surfaces
inferred← citeshttps://doi.org/10.1007/s10562-015-1495-6openalex-snapshot
CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends
inferred← citeshttps://doi.org/10.1007/s11244-012-9804-4openalex-snapshot
Exploring Computational Design of Size-Specific Subnanometer Clusters Catalysts
inferred← citeshttps://doi.org/10.1007/s11244-016-0684-xopenalex-snapshot
Selective Oxidation: From a Still Immature Technology to the Roots of Catalysis Science
inferred← citeshttps://doi.org/10.1007/s11244-020-01380-2openalex-snapshot
Towards Experimental Handbooks in Catalysis
inferred← citeshttps://doi.org/10.1016/b978-0-444-53874-1.00002-0openalex-snapshot
Structural and Electronic Properties of Group 6 Transition Metal Oxide Clusters
inferred← citeshttps://doi.org/10.1016/j.apcata.2026.121099openalex-snapshot
Mechanistic understanding of the 4-nitrophenol reduction as a model catalytic reaction: Advances, controversies, and perspectives
inferred← citeshttps://doi.org/10.1016/j.apcatb.2014.01.043openalex-snapshot
Improved low-temperature activity of silver–alumina for lean NO reduction – Effects of Ag loading and low-level Pt doping
inferred← citeshttps://doi.org/10.1016/j.apsusc.2016.02.093openalex-snapshot
Bulk-surface relationship of an electronic structure for high-throughput screening of metal oxide catalysts
inferred← citeshttps://doi.org/10.1016/j.apsusc.2017.12.104openalex-snapshot
A DFT approach for methanol synthesis via hydrogenation of CO on gallia, ceria and ZnO surfaces
inferred← citeshttps://doi.org/10.1016/j.apsusc.2019.05.318openalex-snapshot
Understanding the effects of metal particle size on the NO2 reduction from a DFT study
inferred← citeshttps://doi.org/10.1016/j.apsusc.2025.164532openalex-snapshot
Identification of Pd subsurface alloy catalysts for HCOOH decomposition
inferred← citeshttps://doi.org/10.1016/j.cattod.2018.03.048openalex-snapshot
Using Brønsted-Evans-Polanyi relations to predict electrode potential-dependent activation energies
inferred← citeshttps://doi.org/10.1016/j.cej.2022.137777openalex-snapshot
Sandwich-Structured flexible interlayer with Co3O4 nanoboxes strung along carbon nanofibers on both sides for fast Li+ transport and high redox activity in High-Rate Li-S batteries
inferred← citeshttps://doi.org/10.1016/j.comptc.2025.115553openalex-snapshot
Support's electronic structure tuning CO2 methanation on Ru4/TiO2 catalysts: A DFT study
inferred← citeshttps://doi.org/10.1016/j.cplett.2014.03.003openalex-snapshot
Exploring the limits: A low-pressure, low-temperature Haber–Bosch process
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2025.05.133openalex-snapshot
Recent research progress of catalysts for thermocatalytic ammonia decomposition
inferred← citeshttps://doi.org/10.1016/j.isci.2025.113080openalex-snapshot
Descriptors construction and application in catalytic site design
inferred← citeshttps://doi.org/10.1016/j.jcat.2012.03.007openalex-snapshot
Elementary steps of syngas reactions on Mo2C(0 0 1): Adsorption thermochemistry and bond dissociation
inferred← citeshttps://doi.org/10.1016/j.jcat.2015.01.017openalex-snapshot
Molecular bonding-based descriptors for surface adsorption and reactivity
inferred← citeshttps://doi.org/10.1016/j.jcat.2020.02.003openalex-snapshot
Understanding the interplay of bifunctional and electronic effects: Microkinetic modeling of the CO electro-oxidation reaction
inferred← citeshttps://doi.org/10.1016/j.jcat.2021.08.043openalex-snapshot
Microkinetic modeling in electrocatalysis: Applications, limitations, and recommendations for reliable mechanistic insights
inferred← citeshttps://doi.org/10.1016/j.jcat.2024.115572openalex-snapshot
N2 dissociation on AuCoFeMoRu high-entropy alloys: Circumventing scaling relations and step dependencies
inferred← citeshttps://doi.org/10.1016/j.jcat.2024.115800openalex-snapshot
Electronic and geometric features controlling the reactivity of Mg-vanadate and V2O5 surfaces toward the initial C–H activation of C1–C3 alkanes – A DFT+U study
inferred← citeshttps://doi.org/10.1016/j.jcat.2025.116308openalex-snapshot
Abridging the modeling of CO oxidation on single-atom catalysts: From microkinetics to descriptor-based analysis
inferred← citeshttps://doi.org/10.1016/j.jcat.2025.116663openalex-snapshot
Theoretical investigation of decomposition and hydrolysis of sulfonamides on CeO2(111)
inferred← citeshttps://doi.org/10.1016/j.jechem.2026.01.053openalex-snapshot
Active phase of Cu-ZnO catalysts in methanol synthesis
inferred← citeshttps://doi.org/10.1016/j.jpowsour.2018.09.098openalex-snapshot
Role of lattice oxygen content and Ni geometry in the oxygen evolution activity of the Ba-Ni-O system
inferred← citeshttps://doi.org/10.1016/j.jpowsour.2025.237567openalex-snapshot
Unravelling the effect of interlayer metal materials on Li deposition in zero-excess Lithium batteries
inferred← citeshttps://doi.org/10.1016/j.mcat.2020.111266openalex-snapshot
Prediction of energies for reaction intermediates and transition states on catalyst surfaces using graph-based machine learning models
inferred← citeshttps://doi.org/10.1016/j.pecs.2018.01.003openalex-snapshot
Foundational techniques for catalyst design in the upgrading of biomass-derived multifunctional molecules
inferred← citeshttps://doi.org/10.1016/j.pecs.2020.100860openalex-snapshot
Advances in electrocatalytic ammonia synthesis under mild conditions
inferred← citeshttps://doi.org/10.1016/j.physb.2022.413884openalex-snapshot
Effect of YRu-VO complex on the OER activity of V-shaped RuO2 Σ103 nanotwin
inferred← citeshttps://doi.org/10.1021/acs.accounts.3c00368openalex-snapshot
Combining Renewable Electricity and Renewable Carbon: Understanding Reaction Mechanisms of Biomass-Derived Furanic Compounds for Design of Catalytic Nanomaterials
inferred← citeshttps://doi.org/10.1021/acs.chemmater.4c01684openalex-snapshot
Bifunctional Noble Metal-Free Ternary Chalcogenide Electrocatalysts for Overall Water Splitting
inferred← citeshttps://doi.org/10.1021/acs.chemmater.7b04371openalex-snapshot
Water-Erasable Memory Device for Security Applications Prepared by the Atomic Layer Deposition of GeO 2
inferred← citeshttps://doi.org/10.1021/acs.chemmater.9b01107openalex-snapshot
Thermal Atomic Layer Deposition of Device-Quality SiO2 Thin Films under 100 °C Using an Aminodisilane Precursor
inferred← citeshttps://doi.org/10.1021/acs.chemrev.0c00394openalex-snapshot
Microkinetic Modeling: A Tool for Rational Catalyst Design
inferred← citeshttps://doi.org/10.1021/acs.chemrev.1c01003openalex-snapshot
Adsorption Energy in Oxygen Electrocatalysis
inferred← citeshttps://doi.org/10.1021/acs.chemrev.4c00171openalex-snapshot
Toward Realistic Models of the Electrocatalytic Oxygen Evolution Reaction
inferred← citeshttps://doi.org/10.1021/acs.chemrev.5b00073openalex-snapshot
Nonstoichiometric Oxides as Low-Cost and Highly-Efficient Oxygen Reduction/Evolution Catalysts for Low-Temperature Electrochemical Devices
inferred← citeshttps://doi.org/10.1021/acs.jctc.6b00168openalex-snapshot
Effect of the Exchange-Correlation Potential on the Transferability of Brønsted–Evans–Polanyi Relationships in Heterogeneous Catalysis
inferred← citeshttps://doi.org/10.1021/acs.jctc.7b01070openalex-snapshot
Efficient Transition State Optimization of Periodic Structures through Automated Relaxed Potential Energy Surface Scans
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c00675openalex-snapshot
Evans–Polanyi-like Formulations for Rapidly Predicting Key Depolymerization Barriers in Xylopyranoses: Toward the Faster Development of Kinetic Models for Hemicellulose Pyrolysis
inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c08089openalex-snapshot
Breaking through the Peak Height Limit of the Volcano-Shaped Activity Curve for Metal Catalysts: Role of Distinct Surface Structures on Transition Metal Oxides
inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c00592openalex-snapshot
A Hybrid Quantum–Classical Study of Ion Adsorption at the Copper Electrode
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5c01539openalex-snapshot
Computational Investigation of Structure and Bonding of In 2 O 3 Surfaces: Relevance to CO 2 Hydrogenation
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b03481openalex-snapshot
A Theoretical Investigation into the Role of Surface Defects for Oxygen Evolution on RuO2
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b09736openalex-snapshot
Tunable Catalytic Performance of Single Pt Atom on Doped Graphene in Direct Dehydrogenation of Propane by Rational Doping: A Density Functional Theory Study
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b03935openalex-snapshot
Exploring the Limitation of Molecular Water Oxidation Catalysts
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b01609openalex-snapshot
Ignition Threshold of Perovskite-Based Oxides for Solid Fuel Oxidation from First-Principles Calculations
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b08662openalex-snapshot
Volcano Curves for in Silico Prediction of Mono- and Bifunctional Catalysts: Application to Ammonia Decomposition
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b08755openalex-snapshot
Propagating DFT Uncertainty to Mechanism Determination, Degree of Rate Control, and Coverage Analysis: The Kinetics of Dry Reforming of Methane
inferred← citeshttps://doi.org/10.1021/acs.jpclett.1c00318openalex-snapshot
Band Gap as a Novel Descriptor for the Reactivity of 2D Titanium Dioxide and its Supported Pt Single Atom for Methane Activation
inferred← citeshttps://doi.org/10.1021/acs.jpclett.1c02960openalex-snapshot
Rationalization of Nonlinear Adsorption Energy–Strain Relations and Brønsted–Evans–Polanyi and Transition State Scaling Relationships under Strain
inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c02459openalex-snapshot
Limitations of Electrochemical Nitrogen Oxidation toward Nitrate
inferred← citeshttps://doi.org/10.1021/acsaem.3c00492openalex-snapshot
Perovskite Oxides as an Opportunity to Systematically Study the Electrooxidation of Alcohols and Polyols on Materials Based on Abundant Elements: Learning from the Experience Using Pure Metals and Metallic Oxides in Electrocatalysis
inferred← citeshttps://doi.org/10.1021/acsami.4c21214openalex-snapshot
Inverted Trends of the Brønsted–Evans–Polanyi Relation in N2 Dissociation Originated from a Bonding-Dependent Adsorption Mechanism
inferred← citeshttps://doi.org/10.1021/acscatal.0c04170openalex-snapshot
Data-Driven Descriptor Engineering and Refined Scaling Relations for Predicting Transition Metal Oxide Reactivity
inferred← citeshttps://doi.org/10.1021/acscatal.1c03405openalex-snapshot
Finding Key Factors for Efficient Water and Methanol Activation at Metals, Oxides, MXenes, and Metal/Oxide Interfaces
inferred← citeshttps://doi.org/10.1021/acscatal.2c06026openalex-snapshot
Diffusion Coupling Kinetics in Multisite Catalysis: A Microkinetic Framework
inferred← citeshttps://doi.org/10.1021/acscatal.5b00265openalex-snapshot
Tuning the Electrocatalytic Water Oxidation Properties of AB2O4 Spinel Nanocrystals: A (Li, Mg, Zn) and B (Mn, Co) Site Variants of LiMn2O4
inferred← citeshttps://doi.org/10.1021/acscatal.5b00488openalex-snapshot
Enhancing Catalytic CO Oxidation over Co3O4 Nanowires by Substituting Co2+ with Cu2+
inferred← citeshttps://doi.org/10.1021/acscatal.5b01714openalex-snapshot
Revealing the Volcano-Shaped Activity Trend of Triiodide Reduction Reaction: A DFT Study Coupled with Microkinetic Analysis
inferred← citeshttps://doi.org/10.1021/acscatal.5c08978openalex-snapshot
Transforming Adsorption-Energy Linear Correlations via Rescaling and Segmentation
inferred← citeshttps://doi.org/10.1021/acscatal.6c05457openalex-snapshot
Selectivity Maps for Electrochemical Ethylene Oxidation to Ethylene Oxide and Ethylene Glycol
inferred← citeshttps://doi.org/10.1021/acscatal.8b00106openalex-snapshot
Computational Design of Active Site Structures with Improved Transition-State Scaling for Ammonia Synthesis
inferred← citeshttps://doi.org/10.1021/acscatal.8b00145openalex-snapshot
Multicomponent Catalysts: Limitations and Prospects
inferred← citeshttps://doi.org/10.1021/acscatal.8b00881openalex-snapshot
Elucidating the Stability and Reactivity of Surface Intermediates on Single-Atom Alloy Catalysts
inferred← citeshttps://doi.org/10.1021/acscatal.9b01606openalex-snapshot
Principles of Dynamic Heterogeneous Catalysis: Surface Resonance and Turnover Frequency Response
inferred← citeshttps://doi.org/10.1021/acsnano.0c07584openalex-snapshot
Atomic Scale Characterization of Fluxional Cation Behavior on Nanoparticle Surfaces: Probing Oxygen Vacancy Creation/Annihilation at Surface Sites
inferred← citeshttps://doi.org/10.1021/cm403785qopenalex-snapshot
Tuning the Electrocatalytic Activity of Perovskites through Active Site Variation and Support Interactions
inferred← citeshttps://doi.org/10.1021/cr300418sopenalex-snapshot
Catalysis by Doped Oxides
inferred← citeshttps://doi.org/10.1021/cs300735eopenalex-snapshot
What Makes a Good Catalyst for the Deacon Process?
inferred← citeshttps://doi.org/10.1021/jacs.1c08152openalex-snapshot
Spectroelectrochemical Analysis of the Water Oxidation Mechanism on Doped Nickel Oxides
inferred← citeshttps://doi.org/10.1021/jp308051vopenalex-snapshot
Sodium Promoter Inducing a Phase Change in a Palladium Catalyst
inferred← citeshttps://doi.org/10.1021/jp312671zopenalex-snapshot
Brønsted–Evans–Polanyi Relationship for Transition Metal Carbide and Transition Metal Oxide Surfaces
inferred← citeshttps://doi.org/10.1021/jp4002803openalex-snapshot
Methane Dissociation on Li-, Na-, K-, and Cu-Doped Flat and Stepped CaO(001)
inferred← citeshttps://doi.org/10.1021/jp4052962openalex-snapshot
Oxidative Dehydrogenation of Methane by Isolated Vanadium Oxide Clusters Supported on Au (111) and Ag (111) Surfaces
inferred← citeshttps://doi.org/10.1021/jp5028349openalex-snapshot
Site-Dependent Lewis Acidity of γ-Al 2 O 3 and Its Impact on Ethanol Dehydration and Etherification
inferred← citeshttps://doi.org/10.1021/jp507207bopenalex-snapshot
Acid–Base Interaction and Its Role in Alkane Dissociative Chemisorption on Oxide Surfaces
inferred← citeshttps://doi.org/10.1038/s41467-019-08325-8openalex-snapshot
A meta-analysis of catalytic literature data reveals property-performance correlations for the OCM reaction
inferred← citeshttps://doi.org/10.1038/s41467-022-32514-7openalex-snapshot
Deep reaction network exploration at a heterogeneous catalytic interface
inferred← citeshttps://doi.org/10.1038/s41467-023-40471-yopenalex-snapshot
Thermodynamic principle to enhance enzymatic activity using the substrate affinity
inferred← citeshttps://doi.org/10.1038/s41578-019-0152-xopenalex-snapshot
Theory-guided design of catalytic materials using scaling relationships and reactivity descriptors
inferred← citeshttps://doi.org/10.1038/s41578-020-0198-9openalex-snapshot
Theoretical insights into the surface physics and chemistry of redox-active oxides
inferred← citeshttps://doi.org/10.1038/s41578-021-00343-7openalex-snapshot
The kinetics of metal oxide photoanodes from charge generation to catalysis
inferred← citeshttps://doi.org/10.1038/s41929-020-0457-6openalex-snapshot
Operando identification of site-dependent water oxidation activity on ruthenium dioxide single-crystal surfaces
inferred← citeshttps://doi.org/10.1038/s43586-025-00445-4openalex-snapshot
Operando ultraviolet–visible optical spectroelectrochemistry of surfaces
inferred← citeshttps://doi.org/10.1039/9781839163296-00001openalex-snapshot
Computational Catalyst Screening
inferred← citeshttps://doi.org/10.1039/9781849734905-00001openalex-snapshot
Computational Catalyst Screening
inferred← citeshttps://doi.org/10.1039/c2cp41652bopenalex-snapshot
Alignment of electronic energy levels at electrochemical interfaces
inferred← citeshttps://doi.org/10.1039/c2cs35267bopenalex-snapshot
New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxides
inferred← citeshttps://doi.org/10.1039/c2cy20384gopenalex-snapshot
State-of-the-art and challenges in theoretical simulations of heterogeneous catalysis at the microscopic level
inferred← citeshttps://doi.org/10.1039/c2cy20594gopenalex-snapshot
On the performance of Ag/Al 2 O 3 as a HC-SCR catalyst – influence of silver loading, morphology and nature of the reductant
inferred← citeshttps://doi.org/10.1039/c2sc21601aopenalex-snapshot
Number of outer electrons as descriptor for adsorption processes on transition metals and their oxides
inferred← citeshttps://doi.org/10.1039/c3cp44363aopenalex-snapshot
Combined theoretical and experimental analysis of processes determining cathode performance in solid oxide fuel cells
inferred← citeshttps://doi.org/10.1039/c3cp50257kopenalex-snapshot
Generalized trends in the formation energies of perovskite oxides
inferred← citeshttps://doi.org/10.1039/c3cp51479jopenalex-snapshot
Tandem cathode for proton exchange membrane fuel cells
inferred← citeshttps://doi.org/10.1039/c4ee03869jopenalex-snapshot
Toward the rational design of non-precious transition metal oxides for oxygen electrocatalysis
inferred← citeshttps://doi.org/10.1039/c5cy01784jopenalex-snapshot
Insights into the synergistic role of metal–lattice oxygen site pairs in four-centered C–H bond activation of methane: the case of CuO
inferred← citeshttps://doi.org/10.1039/c5nr05759kopenalex-snapshot
Rationale of the effects from dopants on C–H bond activation for sp 2 hybridized nanostructured carbon catalysts
inferred← citeshttps://doi.org/10.1039/c5sc02910dopenalex-snapshot
Linear scaling relationships and volcano plots in homogeneous catalysis – revisiting the Suzuki reaction
inferred← citeshttps://doi.org/10.1039/c6cp03170fopenalex-snapshot
Polarization-driven catalysis via ferroelectric oxide surfaces
inferred← citeshttps://doi.org/10.1039/c6ra15038aopenalex-snapshot
Insight into mechanism and selectivity of propane dehydrogenation over the Pd-doped Cu(111) surface
inferred← citeshttps://doi.org/10.1039/c6sc01660jopenalex-snapshot
Accessing and predicting the kinetic profiles of homogeneous catalysts from volcano plots
inferred← citeshttps://doi.org/10.1039/c7cc06941copenalex-snapshot
Oxidative dehydrogenation reaction of short alkanes on nanostructured carbon catalysts: a computational account
inferred← citeshttps://doi.org/10.1039/c9cp02817jopenalex-snapshot
Implicit solvent effects in the determination of Brønsted–Evans–Polanyi relationships for heterogeneously catalyzed reactions
inferred← citeshttps://doi.org/10.1039/c9ee02697eopenalex-snapshot
Interpreting Tafel behavior of consecutive electrochemical reactions through combined thermodynamic and steady state microkinetic approaches
inferred← citeshttps://doi.org/10.1039/d0cp02471fopenalex-snapshot
C–H activation of light alkanes on MXenes predicted by hydrogen affinity
inferred← citeshttps://doi.org/10.1039/d0sc00534gopenalex-snapshot
Trends in C–O and N–O bond scission on rutile oxides described using oxygen vacancy formation energies
inferred← citeshttps://doi.org/10.1039/d2cy02077gopenalex-snapshot
Post-plasma catalysis: charge effect on product selectivity in conversion of methane and nitrogen plasma to ethylene and ammonia
inferred← citeshttps://doi.org/10.1039/d2ta08928aopenalex-snapshot
Progress of electrochemical synthesis of nitric acid: catalyst design, mechanistic insights, protocol and challenges
inferred← citeshttps://doi.org/10.1039/d3cy00462gopenalex-snapshot
Correlation between the structural features and intrinsic activity trend of Fe surfaces for ammonia synthesis
inferred← citeshttps://doi.org/10.1039/d3ta04554dopenalex-snapshot
Simple local environment descriptors for accurate prediction of hydrogen absorption and migration in metal alloys
inferred← citeshttps://doi.org/10.1039/d3va00281kopenalex-snapshot
What can Blyholder teach us about PFAS degradation on metal surfaces?
inferred← citeshttps://doi.org/10.1039/d5cp03940aopenalex-snapshot
O 2 -assisted methane oxidation on single-atom Pd@SSZ-13: a combined first-principles and microkinetic study
inferred← citeshttps://doi.org/10.1039/d5ey00338eopenalex-snapshot
Reaction network of CO 2 hydrogenation into C 1–2 oxygenates and its BEP relationships
inferred← citeshttps://doi.org/10.1039/d6cp01993eopenalex-snapshot
Heterolytic activation of H–H and H–OH bonds on Lewis acid–base site pairs at metal oxide surfaces: site structures, through-space interactions, and Brønsted–Evans–Polanyi scaling relations
inferred← citeshttps://doi.org/10.1063/1.4733984openalex-snapshot
Density functional theory model study of size and structure effects on water dissociation by platinum nanoparticles
inferred← citeshttps://doi.org/10.1063/1.4974931openalex-snapshot
Perspective: On the active site model in computational catalyst screening
inferred← citeshttps://doi.org/10.1080/01614940.2015.1074487openalex-snapshot
The Brønsted−Evans−Polanyi Correlations in Oxidation Catalysis
inferred← citeshttps://doi.org/10.1080/08927022.2017.1303687openalex-snapshot
Practical principles of density functional theory for catalytic reaction simulations on metal surfaces – from theory to applications
inferred← citeshttps://doi.org/10.1088/1361-6463/ac7fc6openalex-snapshot
Development of a microkinetic model for non-oxidative coupling of methane over a Cu catalyst in a non-thermal plasma reactor
inferred← citeshttps://doi.org/10.1098/rspa.2016.0080openalex-snapshot
Catalytic water dissociation by greigite Fe 3 S 4 surfaces: density functional theory study
inferred← citeshttps://doi.org/10.1101/2023.02.01.526728openalex-snapshot
Universal Design Principle to Enhance Enzymatic Activity using the Substrate Affinity
inferred← citeshttps://doi.org/10.1103/jzx6-j1kjopenalex-snapshot
Intrinsic role of polarons in surface catalysis of transition metal oxides
inferred← citeshttps://doi.org/10.1126/science.1215081openalex-snapshot
Optimizing Perovskites for the Water-Splitting Reaction
inferred← citeshttps://doi.org/10.1146/annurev-chembioeng-080615-034413openalex-snapshot
Theoretical Heterogeneous Catalysis: Scaling Relationships and Computational Catalyst Design
inferred← citeshttps://doi.org/10.14279/depositonce-3502openalex-snapshot
Investigation of Oxygen Defect Formation in Supported Vanadium Oxide Catalysts by Impedance Spectroscopy
inferred← citeshttps://doi.org/10.32657/10356/69355openalex-snapshot
Mechanistic insights into collision induced and catalytic activation of methane from first principles
inferred← citeshttps://doi.org/10.3389/fenrg.2021.606313openalex-snapshot
First-Principles Design of Rutile Oxide Heterostructures for Oxygen Evolution Reactions
inferred← citeshttps://doi.org/10.3390/asec2023-15319openalex-snapshot
Catalytic Performance of Doped Ni2P Surfaces for Ammonia Synthesis †
inferred← citeshttps://doi.org/10.3390/catal10101212openalex-snapshot
Improved NOx Reduction Using C3H8 and H2 with Ag/Al2O3 Catalysts Promoted with Pt and WOx
inferred← citeshttps://doi.org/10.3390/molecules29081894openalex-snapshot
Phosphorus Modification of Iron: Mechanistic Insights into Ammonia Synthesis on Fe2P Catalyst
inferred← citeshttps://doi.org/10.34133/research.0043openalex-snapshot
Chemical Electron Microscopy (CEM) for Heterogeneous Catalysis at Nano: Recent Progress and Challenges
inferred← citeshttps://doi.org/10.58088/pedb-mc46openalex-snapshot
Monometallic and bimetallic catalysis for C1-C4 alkane and propylene total oxidation
inferred← citeshttps://doi.org/10.70675/6a74665az869bz4db6z92a5z34831c0465e5openalex-snapshot
Linear energy relations for biomass transformation under heterogeneous catalysis : a fast prediction of polyalcohol dehydrogenation on transition metals
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.