Activity descriptor and volcano plots in Lewis acid zeolites for dehydrogenation reactions

No abstract is available for this paper.

• Publication year

  2025

• Venue

  Journal of Catalysis

• Publication date

  2025-11-01

• Fields of study

  Not labeled

• Identifiers
  DOI 10.1016/j.jcat.2025.116548
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar

• No claims are published for this paper.

• No concepts are published for this paper.

• Data-driven discovery of Pt single atom embedded germanosilicate MFI zeolite catalysts for propane dehydrogenation

  2025cited by this paper
• Cobaltosilicate zeolite beyond platinum catalysts for propane dehydrogenation

  2025cited by this paper
• A self-regenerating Pt/Ge-MFI zeolite for propane dehydrogenation with high endurance.

  2025cited by this paper
• Propane dehydrogenation on extra-framework and framework-embedded metal site within ZSM-5 zeolite from first-principles microkinetic simulations

  2024cited by this paper
• Selective C-H Bond Activation in Propane with Molecular Oxygen over Cu(I)-ZSM-5 at Ambient Conditions.

  2024cited by this paper
• Single Pt Coordinated with Framework Fe in MWW-Type Ferrisilicate toward Efficient Propane Dehydrogenation

  2024cited by this paper
• Regioselective hydroformylation with subnanometre Rh clusters in MFI zeolite

  2024cited by this paper
• Tricoordinated Single-Atom Cobalt in Zeolite Boosting Propane Dehydrogenation.

  2024cited by this paper
• Effects of Structure on the Activity, Selectivity, and Stability of Pt-Sn-DeAlBEA for Propane Dehydrogenation

  2024cited by this paper
• Machine Learning Prediction of Transition-State Energies in Small-Pore Zeolites Combining Acidity and Topology Descriptors

  2024cited by this paper
• Stable anchoring of single rhodium atoms by indium in zeolite alkane dehydrogenation catalysts

  2024cited by this paper
• Facilitating catalytic research via better data reporting and curation: A case study of propane dehydrogenation on Ga/H-ZSM-5

  2024cited by this paper
• Direct methane utilization through benzene dehydroalkylation catalyzed by Co2+ sites in ZSM-5 intersections

  2024cited by this paper
• Zinc Speciation and Propane Dehydrogenation in Zn/H-ZSM-5 Catalysts

  2023cited by this paper
• Highly Efficient and Stable Methane Dry Reforming Enabled by a Single-Site Cationic Ni Catalyst.

  2023cited by this paper
• Germanium-enriched double-four-membered-ring units inducing zeolite-confined subnanometric Pt clusters for efficient propane dehydrogenation

  2023cited by this paper
• Cu-loaded zeolites enable the selective activation of ethane to ethylene at low temperatures and pressure.

  2023cited by this paper
• Recent Progress in Metal-Molecular Sieve Catalysts for Propane Dehydrogenation

  2023cited by this paper
• Isolated Pt Species Anchored by Hierarchical-like Heteroatomic Fe-Silicalite-1 Catalyze Propane Dehydrogenation near the Thermodynamic Limit

  2023cited by this paper
• Zeolite-confined subnanometric PtSn mimicking mortise-and-tenon joinery for catalytic propane dehydrogenation

  2022cited by this paper
• Metal Sites in Zeolites: Synthesis, Characterization, and Catalysis.

  2022cited by this paper
• Atomic Insight into the Local Structure and Microenvironment of Isolated Co-Motifs in MFI Zeolite Frameworks for Propane Dehydrogenation.

  2022cited by this paper
• Mechanism and Kinetics of n-Butane Dehydrogenation to 1,3-Butadiene Catalyzed by Isolated Pt Sites Grafted onto ≡SiOZn–OH Nests in Dealuminated Zeolite Beta

  2022cited by this paper
• First-principles microkinetic analysis of Lewis acid sites in Zn-ZSM-5 for alkane dehydrogenation and its implication to methanol-to-aromatics conversion

  2021cited by this paper
• Propane Dehydrogenation Catalyzed by Isolated Pt Atoms in ≡SiOZn-OH Nests in Dealuminated Zeolite Beta.

  2021cited by this paper
• Propane Dehydrogenation and Cracking over Zn/H-MFI Prepared by Solid-State Ion Exchange of ZnCl2

  2021cited by this paper
• In situ formation of ZnOx species for efficient propane dehydrogenation

  2021cited by this paper
• Advances in Catalytic Applications of Zeolite‐Supported Metal Catalysts

  2021cited by this paper
• Isolated metal atoms and clusters for alkane activation: translating knowledge from enzymatic and homogeneous to heterogeneous systems

  2021cited by this paper
• Propane dehydrogenation catalyzed by in-situ partially reduced zinc cations confined in zeolites

  2021cited by this paper
• Activation and conversion of alkanes in the confined space of zeolite-type materials.

  2021cited by this paper
• Propane dehydrogenation catalyzed by single Lewis acid site in Sn-Beta zeolite

  2021cited by this paper
• Propane dehydrogenation: catalyst development, new chemistry, and emerging technologies.

  2021cited by this paper
• Structural modulation and direct measurement of subnanometric bimetallic PtSn clusters confined in zeolites

  2020cited by this paper
• Three-Dimensional Kinetic Trends in Zeolites Catalyzed Benzene Ethylation Reaction: A Descriptor-Based DFT Study Coupled with Microkinetic Modeling

  2020cited by this paper
• Ultrasmall Co confined in the silanols of dealuminated beta zeolite: A highly active and selective catalyst for direct dehydrogenation of propane to propylene

  2020cited by this paper
• Emphasis on the properties of metal-containing zeolites operating outside the comfort zone of current heterogeneous catalytic reactions.

  2020cited by this paper
• Metal@Zeolite Hybrid Materials for Catalysis

  2020cited by this paper
• Confining isolated atoms and clusters in crystalline porous materials for catalysis

  2020cited by this paper
• Atomically Dispersed Metals on Well-Defined Supports including Zeolites and Metal-Organic Frameworks: Structure, Bonding, Reactivity, and Catalysis.

  2020cited by this paper
• Confinement Effects in Zeolite-Confined Noble Metals.

  2019cited by this paper
• Acetylene-Selective Hydrogenation Catalyzed by Cationic Nickel Confined in Zeolite.

  2019cited by this paper
• General scaling relations and prediction of transition state energies in CHA/AlPO-34-structured zeolite catalysis related to the methanol-to-olefins conversion

  2019cited by this paper
• Theory-guided design of catalytic materials using scaling relationships and reactivity descriptors

  2019cited by this paper
• Methane selective oxidation to methanol by metal-exchanged zeolites: a review of active sites and their reactivity

  2019cited by this paper
• Lewis-Brønsted Acid Pairs in Ga/H-ZSM-5 To Catalyze Dehydrogenation of Light Alkanes.

  2018cited by this paper
• Sinter-resistant metal nanoparticle catalysts achieved by immobilization within zeolite crystals via seed-directed growth

  2018cited by this paper
• Engineering of Transition Metal Catalysts Confined in Zeolites

  2018cited by this paper
• The Nature and Catalytic Function of Cation Sites in Zeolites: a Computational Perspective

  2018cited by this paper
• Structure–Activity Relationships in Alkane Dehydrogenation on γ-Al2O3: Site-Dependent Reactions

  2018cited by this paper
• Applications of Zeolites in Sustainable Chemistry

  2017cited by this paper
• Understanding trends in C-H bond activation in heterogeneous catalysis.

  2017cited by this paper
• In Situ Confinement of Ultrasmall Pd Clusters within Nanosized Silicalite-1 Zeolite for Highly Efficient Catalysis of Hydrogen Generation.

  2016cited by this paper
• Relationship between acidity and catalytic reactivity of Faujasite Zeolite:a periodic DFT study

  2016cited by this paper
• Computational insights into the reaction mechanism of methanol-to-olefins conversion in H-ZSM-5: nature of hydrocarbon pool

  2016cited by this paper
• Theoretical Heterogeneous Catalysis: Scaling Relationships and Computational Catalyst Design.

  2016cited by this paper
• Transition-state scaling relations in zeolite catalysis: influence of framework topology and acid-site reactivity

  2015cited by this paper
• CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends

  2015cited by this paper
• Similarities and differences between aromatic-based and olefin-based cycles in H-SAPO-34 and H-SSZ-13 for methanol-to-olefins conversion: insights from energetic span model

  2015cited by this paper
• Methanol−Alkene Reactions in Zeotype Acid Catalysts: Insights from a Descriptor-Based Approach and Microkinetic Modeling

  2014cited by this paper
• Scaling relations between adsorption energies for computational screening and design of catalysts

  2014cited by this paper
• Reactivity Descriptor in Solid Acid Catalysis: Predicting Turnover Frequencies for Propene Methylation in Zeotypes.

  2014cited by this paper
• The Acidity of Zeolites: Concepts, Measurements and Relation to Catalysis: A Review on Experimental and Theoretical Methods for the Study of Zeolite Acidity

  2013cited by this paper
• Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

  2012cited by this paper
• Density functional theory in surface chemistry and catalysis

  2011cited by this paper
• How to conceptualize catalytic cycles? The energetic span model.

  2011cited by this paper
• Reactivity theory of transition-metal surfaces: a Brønsted-Evans-Polanyi linear activation energy-free-energy analysis.

  2010cited by this paper
• Towards the computational design of solid catalysts.

  2009cited by this paper
• State of the art and future challenges of zeolites as catalysts

  2003cited by this paper
• From ultrasoft pseudopotentials to the projector augmented-wave method

  1999cited by this paper
• A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives

  1999cited by this paper
• Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.

  1996cited by this paper
• Infrared studies of the surface acidity of oxides and zeolites using adsorbed probe molecules

  1996cited by this paper
• Projector augmented-wave method.

  1994cited by this paper
• Hydrogénations et déshydrogénations par catalyse

  1911cited by this paper

• No citing papers are available for this paper.