Research graph
References from Platinum-group-metal doping rewires active sites and kinetics of direct propane dehydrogenation on t-ZrO2. Local targets link to admitted publications; unresolved targets remain external evidence.
Direct and oxidative dehydrogenation of propane: from catalyst design to industrial application
10.1039/d1gc03700e · 2021 · External reference
Shale gas revolution: catalytic conversion of C1-C3 light alkanes to value-added chemicals
10.1016/j.chempr.2021.02.002 · 2021 · External reference
Propane dehydrogenation: catalyst development, new chemistry, and emerging technologies
10.1039/d0cs00814a · 2021 · External reference
Catalytic dehydrogenation of light alkanes on metals and metal oxides
10.1021/cr5002436 · 2014 · External reference
Recent progress in commercial and novel catalysts for catalytic dehydrogenation of light alkanes
10.1002/tcr.201900090 · 2020 · External reference
Developing a supported metal oxide catalyst for direct dehydrogenation of propane to propene
10.1016/j.apcata.2025.120354 · 2025 · External reference
Effect of Ti-promoting on propane dehydrogenation over porous Zn-based catalysts: a strategy to enhance activity and selectivity
10.1016/j.apsusc.2021.152067 · 2022 · External reference
C-H activation in propane dehydrogenation over spinel ZnAl2O4: the role of lattice-oxygen
10.1002/slct.202600025 · 2026 · External reference
Zr element promotes gallium oxide-based catalyst activity for direct dehydrogenation of propane
10.1039/d5cc00800j · 2025 · External reference
Non-oxidative propane dehydrogenation on CrOx-ZrO2-SiO2 catalyst prepared by one-pot template-assisted method
10.3390/molecules27186095 · 2022 · External reference
VMOF-derived VOx/Al2O3 millimeter spherical catalyst for propane dehydrogenation with enhanced activity and stability
10.1016/j.apcata.2025.120225 · 2025 · External reference
ZrO2-based alternatives to conventional propane dehydrogenation catalysts: active sites, design, and performance
10.1002/anie.201508731 · 2015 · External reference
Control of coordinatively unsaturated Zr sites in ZrO2 for efficient C-H bond activation
10.1038/s41467-018-06174-5 · 2018 · External reference
The effect of phase composition and crystallite size on activity and selectivity of ZrO2 in non-oxidative propane dehydrogenation
10.1016/j.jcat.2019.02.012 · 2019 · External reference
Revisiting the origin of the superior performance of defective zirconium oxide catalysts in propane dehydrogenation: double-edged oxygen vacancy
10.1016/s1872-2067(24)60163-4 · 2025 · External reference
Breaking symmetry: enhanced propane dehydrogenation via asymmetric oxygen vacancies from vanadium-doped ZrO2 catalysts
10.1016/j.apsusc.2025.164847 · 2026 · External reference
Structure-activity-selectivity relationships in propane dehydrogenation over Rh/ZrO2 catalysts
10.1021/acscatal.0c01455 · 2020 · External reference
The effect of supported Rh, Ru, Pt or Ir nanoparticles on activity and selectivity of ZrO2-based catalysts in non-oxidative dehydrogenation of propane
2020 · External reference
Stabilizing oxygen vacancies in ZrO2 by Ga2O3 boosts the direct dehydrogenation of light alkanes
2021 · External reference
Ab initio molecular dynamics for liquid metals
10.1103/physrevb.47.558 · 1993 · External reference
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
10.1103/physrevb.54.11169 · 1996 · External reference
Generalized gradient approximation made simple
10.1103/physrevlett.77.3865 · 1996 · External reference
Effect of the damping function in dispersion corrected density functional theory
10.1002/jcc.21759 · 2011 · External reference
Projector augmented-wave method
10.1103/physrevb.50.17953 · 1994 · External reference
From ultrasoft pseudopotentials to the projector augmented-wave method
10.1103/physrevb.59.1758 · 1999 · External reference
Structure and properties of zirconia nanoparticles from density functional theory calculations
10.1039/c7nr01904a · 2017 · External reference
Structure and properties of zirconia surfaces from density functional theory calculations
10.1021/acs.jpcc.6b05685 · 2016 · External reference
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
10.1063/1.1329672 · 2000 · External reference
A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
10.1063/1.480097 · 1999 · External reference
The optimally performing fischer-tropsch catalyst
10.1002/anie.201406521 · 2014 · External reference
Microkinetic modeling: a tool for rational catalyst design
10.1021/acs.chemrev.0c00394 · 2021 · External reference
Engineering the catalytic properties of CeO2 catalyst in HCl-assisted propane dehydrogenation by effective doping: a first-principles-based microkinetic simulation
10.3389/fchem.2023.1133865 · 2023 · External reference
Effect of surface oxidation on oxidative propane dehydrogenation over chromia: an Ab initio multiscale kinetic study
10.1021/acscatal.1c01814 · 2021 · External reference
Energy maps of complex catalyst surfaces
10.1021/acscatal.4c01308 · 2024 · External reference
Structure sensitivity of CO2 conversion over nickel metal nanoparticles explained by micro-kinetics simulations
10.1021/jacsau.2c00430 · 2022 · External reference
Tailoring the catalytic performance of MXenes in propane dehydrogenation by layer substitution from microkinetic simulations
10.1016/j.isci.2025.113480 · 2025 · External reference
Kinetics of alkane reactions on metal catalysts: activation energies and the compensation effect
10.1016/s0920-5861(98)00406-4 · 1999 · External reference
High activity and negative apparent activation energy in low-temperature CO oxidation – present on Au/Mg(OH)2, absent on Au/TiO2
10.1039/c7cy00722a · 2017 · External reference
The optimally performing fischer-tropsch catalyst
10.1002/anie.201406521 · ExternalCitation · doi-reference
ZrO2-based alternatives to conventional propane dehydrogenation catalysts: active sites, design, and performance
10.1002/anie.201508731 · ExternalCitation · doi-reference
Effect of the damping function in dispersion corrected density functional theory
10.1002/jcc.21759 · ExternalCitation · doi-reference
C-H activation in propane dehydrogenation over spinel ZnAl2O4: the role of lattice-oxygen
10.1002/slct.202600025 · ExternalCitation · doi-reference
Recent progress in commercial and novel catalysts for catalytic dehydrogenation of light alkanes
10.1002/tcr.201900090 · ExternalCitation · doi-reference
VMOF-derived VOx/Al2O3 millimeter spherical catalyst for propane dehydrogenation with enhanced activity and stability
10.1016/j.apcata.2025.120225 · ExternalCitation · doi-reference
Developing a supported metal oxide catalyst for direct dehydrogenation of propane to propene
10.1016/j.apcata.2025.120354 · ExternalCitation · doi-reference
Effect of Ti-promoting on propane dehydrogenation over porous Zn-based catalysts: a strategy to enhance activity and selectivity
10.1016/j.apsusc.2021.152067 · ExternalCitation · doi-reference
Breaking symmetry: enhanced propane dehydrogenation via asymmetric oxygen vacancies from vanadium-doped ZrO2 catalysts
10.1016/j.apsusc.2025.164847 · ExternalCitation · doi-reference
Shale gas revolution: catalytic conversion of C1-C3 light alkanes to value-added chemicals
10.1016/j.chempr.2021.02.002 · ExternalCitation · doi-reference
Tailoring the catalytic performance of MXenes in propane dehydrogenation by layer substitution from microkinetic simulations
10.1016/j.isci.2025.113480 · ExternalCitation · doi-reference
The effect of phase composition and crystallite size on activity and selectivity of ZrO2 in non-oxidative propane dehydrogenation
10.1016/j.jcat.2019.02.012 · ExternalCitation · doi-reference
Kinetics of alkane reactions on metal catalysts: activation energies and the compensation effect
10.1016/s0920-5861(98)00406-4 · ExternalCitation · doi-reference
Revisiting the origin of the superior performance of defective zirconium oxide catalysts in propane dehydrogenation: double-edged oxygen vacancy
10.1016/s1872-2067(24)60163-4 · ExternalCitation · doi-reference
Microkinetic modeling: a tool for rational catalyst design
10.1021/acs.chemrev.0c00394 · ExternalCitation · doi-reference
Structure and properties of zirconia surfaces from density functional theory calculations
10.1021/acs.jpcc.6b05685 · ExternalCitation · doi-reference
Structure-activity-selectivity relationships in propane dehydrogenation over Rh/ZrO2 catalysts
10.1021/acscatal.0c01455 · ExternalCitation · doi-reference
Effect of surface oxidation on oxidative propane dehydrogenation over chromia: an Ab initio multiscale kinetic study
10.1021/acscatal.1c01814 · ExternalCitation · doi-reference
Energy maps of complex catalyst surfaces
10.1021/acscatal.4c01308 · ExternalCitation · doi-reference
Catalytic dehydrogenation of light alkanes on metals and metal oxides
10.1021/cr5002436 · ExternalCitation · doi-reference
Structure sensitivity of CO2 conversion over nickel metal nanoparticles explained by micro-kinetics simulations
10.1021/jacsau.2c00430 · ExternalCitation · doi-reference
Control of coordinatively unsaturated Zr sites in ZrO2 for efficient C-H bond activation
10.1038/s41467-018-06174-5 · ExternalCitation · doi-reference
High activity and negative apparent activation energy in low-temperature CO oxidation – present on Au/Mg(OH)2, absent on Au/TiO2
10.1039/c7cy00722a · ExternalCitation · doi-reference
Structure and properties of zirconia nanoparticles from density functional theory calculations
10.1039/c7nr01904a · ExternalCitation · doi-reference
Propane dehydrogenation: catalyst development, new chemistry, and emerging technologies
10.1039/d0cs00814a · ExternalCitation · doi-reference
Direct and oxidative dehydrogenation of propane: from catalyst design to industrial application
10.1039/d1gc03700e · ExternalCitation · doi-reference
Zr element promotes gallium oxide-based catalyst activity for direct dehydrogenation of propane
10.1039/d5cc00800j · ExternalCitation · doi-reference
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
10.1063/1.1329672 · ExternalCitation · doi-reference
A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
10.1063/1.480097 · ExternalCitation · doi-reference
Ab initio molecular dynamics for liquid metals
10.1103/physrevb.47.558 · ExternalCitation · doi-reference
Projector augmented-wave method
10.1103/physrevb.50.17953 · ExternalCitation · doi-reference
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
10.1103/physrevb.54.11169 · ExternalCitation · doi-reference
From ultrasoft pseudopotentials to the projector augmented-wave method
10.1103/physrevb.59.1758 · ExternalCitation · doi-reference
Generalized gradient approximation made simple
10.1103/physrevlett.77.3865 · ExternalCitation · doi-reference
Engineering the catalytic properties of CeO2 catalyst in HCl-assisted propane dehydrogenation by effective doping: a first-principles-based microkinetic simulation
10.3389/fchem.2023.1133865 · ExternalCitation · doi-reference
Non-oxidative propane dehydrogenation on CrOx-ZrO2-SiO2 catalyst prepared by one-pot template-assisted method
10.3390/molecules27186095 · ExternalCitation · doi-reference
