journal article·2026-02

Breaking symmetry: enhanced propane dehydrogenation via asymmetric oxygen vacancies from vanadium doped ZrO2 catalysts

LingLing Shang, YuQing Tang, XiaoYing Sun, Zhen Zhao, Bo Li

Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Catalysis and Oxidation Reactions · Catalytic Processes in Materials Science · Zeolite Catalysis and Synthesis

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (49)

Show source-provided references
1. Boron-containing catalysts for the oxidative dehydrogenation of ethane/propane mixtures10.1021/acs.iecr.8b04906 ↗
2. Propane dehydrogenation: catalyst development, new chemistry, and emerging technologies10.1039/D0CS00814A ↗
3. Catalysts for production of lower olefins from synthesis gas: a review10.1021/cs4003436 ↗
4. Elucidation of catalytic propane dehydrogenation using theoretical and experimental approaches: advances and outlook10.1021/acs.energyfuels.3c02887 ↗
5. Recent progress in commercial and novel catalysts for catalytic dehydrogenation of light alkanes10.1002/tcr.201900090 ↗
6. Catalytic dehydrogenation of light alkanes on metals and metal oxides10.1021/cr5002436 ↗
7. Structure–activity–selectivity relationships in propane dehydrogenation over Rh/ZrO2 catalysts10.1021/acscatal.0c01455 ↗
8. Facilitating the reduction of V–O bonds on VOx/ZrO2 catalysts for non-oxidative propane dehydrogenation10.1039/D0SC00690D ↗
9. Unraveling the origins of the synergy effect between ZrO2 and CrOx in supported CrZrOx for propene formation in nonoxidative propane dehydrogenation10.1021/acscatal.9b05063 ↗
10. Controlling activity and selectivity of bare ZrO2 in non-oxidative propane dehydrogenation10.1016/j.apcata.2019.117189 ↗
11. Morphology effect of ZrO2 on tuning the C–H bond activation in propane dehydrogenation10.1021/acscatal.3c04883 ↗
12. The fundamentals for efficient non-oxidative propane dehydrogenation over ZrO2‑based catalysts10.1021/accountsmr.4c00395 ↗
13. Revisiting the origin of the superior performance of defective zirconium oxide catalysts in propane dehydrogenation: double-edged oxygen vacancy10.1016/S1872-2067(24)60163-4 ↗
14. Control of coordinatively unsaturated Zr sites in ZrO2 for efficient C-H bond activation10.1038/s41467-018-06174-5 ↗
15. The effect of phase composition and crystallite size on activity and selectivity of ZrO2 in non-oxidative propane dehydrogenation10.1016/j.jcat.2019.02.012 ↗
16. Phase relationships in the zirconia-yttria system10.1007/BF01031853 ↗
17. Effect of dopants on zirconia stabilization-an X-ray absorption study: II, tetravalent dopants10.1111/j.1151-2916.1994.tb05403.x ↗
18. ZrO2‐based alternatives to conventional propane dehydrogenation catalysts: active sites, design, and performance10.1002/anie.201508731 ↗
19. ZrO2-based unconventional catalysts for non-oxidative propane dehydrogenation: factors determining catalytic activity10.1016/j.jcat.2017.02.016 ↗
20. Catalytic non-oxidative propane dehydrogenation over promoted Cr-Zr-Ox: effect of promoter on propene selectivity and stability10.1016/j.catcom.2020.105956 ↗
21. Regulating the C-H bond activation pathway over ZrO2 via doping engineering for propane dehydrogenation10.1021/acscatal.3c01002 ↗
22. Zn-doping and oxygen vacancy effects on the reactivity and properties of monoclinic and tetragonal ZrO2: a DFT study10.1007/s00894-022-05328-z ↗
23. Cu-promoted zirconia catalysts for non-oxidative propane dehydrogenation10.1016/j.apcata.2019.117211 ↗
24. Propane oxidative dehydrogenation over VOx/SBA-15 catalysts10.1016/j.cattod.2016.12.014 ↗
25. Electrospun vanadium oxide based submicron diameter fiber catalysts Part I: Preparation procedure and propane ODH application10.1016/j.cattod.2018.10.073 ↗
26. Propane dehydrogenation over vanadium-doped zirconium oxide catalysts10.1016/j.cattod.2019.12.012 ↗
27. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
28. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
29. Ab initio molecular dynamics for liquid metals10.1016/0022-3093(95)00355-X ↗
30. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
31. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
32. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu10.1063/1.3382344 ↗
33. Effect of nanostructuring on the reactivity of zirconia: a DFT+U study of Au atom adsorption10.1021/acs.jpcc.6b05685 ↗
34. Reducibility of ZrO2/Pt3Zr and ZrO2/Pt 2D films compared to bulk zirconia: a DFT+U study of oxygen removal and H2 adsorption10.1039/C7NR01904A ↗
35. A climbing image nudged elastic band method for finding saddle points and minimum energy paths10.1063/1.1329672 ↗
36. A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives10.1063/1.480097 ↗
37. A fast and robust algorithm for Bader decomposition of charge density10.1016/j.commatsci.2005.04.010 ↗
38. Microkinetic modeling: a tool for rational catalyst design10.1021/acs.chemrev.0c00394 ↗
39. The optimally performing Fischer–Tropsch catalyst10.1002/anie.201406521 ↗
40. Unraveling the charge state of oxygen vacancies in monoclinic ZrO2 and spectroscopic properties of ZrO2:Sm3+ phosphor10.1021/acs.jpcc.1c07365 ↗
41. Identifying the active site and structure–activity relationship in propane dehydrogenation over Ga2O3/ZrO2 catalysts10.1016/j.jcat.2023.115208 ↗
42. The fundamentals for efficient non-oxidative propane dehydrogenation over ZrO2-based catalysts10.1021/accountsmr.4c00395 ↗
43. Spontaneous formation of asymmetric oxygen vacancies in transition-metal-doped CeO2 nanorods with improved activity for carbonyl sulfide hydrolysis10.1021/acscatal.0c02832 ↗
44. Asymmetric oxygen vacancy promotes CO-SCR performance on defect-engineered Rh/CeCuOx catalyst10.1016/j.jes.2024.05.002 ↗
45. Tuning electronegativity environment of asymmetric oxygen vacancies in Sb-SnO2 promotes electrofiltration oxidation at low potential10.1016/j.apcatb.2024.124325 ↗
46. Coke deposition on Pt-based catalysts in propane direct dehydrogenation: kinetics suppression, and elimination10.1021/acscatal.1c00331 ↗
47. Recent progress in catalytic dehydrogenation of propane over Pt-based catalysts10.1039/D3CP01659E ↗
48. Catalytic property and stability of subnanometer Pt cluster on carbon nanotube in direct propane dehydrogenation10.1002/cjoc.202000415 ↗
49. Stabilizing oxygen vacancies in ZrO2 by Ga2O3 boosts the direct dehydrogenation of light alkanes10.1021/acscatal.1c02621 ↗