Comparative analysis of NOx reduction on Pt, Pd, and Rh catalysts by DFT calculation and microkinetic modeling
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OpenAlex topics: Catalytic Processes in Materials Science · Ammonia Synthesis and Nitrogen Reduction · Catalysis and Oxidation Reactions
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References (44)
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1. Economizing on precious metals in three-way catalysts: thermally stable and highly active single-atom rhodium on ceria for NO abatement under dry and industrially relevant conditions**10.1002/anie.202010815 ↗
2. The impact of automotive catalysis on the United Nations sustainable development goals10.1038/s41929-019-0318-3 ↗
3. Automotive exhaust catalysis10.1016/S0021-9517(02)00067-2 ↗
4. Recent advances in the selective catalytic reduction of NOx by hydrogen in the presence of oxygen10.1039/c2ee22190j ↗
5. Evolution of the structure and chemical state of Pd nanoparticles during the in situ catalytic reduction of NO with H210.1021/ja203709t ↗
6. Air pollution in the last 50 years - From local to global10.1016/j.atmosenv.2008.09.061 ↗
7. Roles of noble metals (M = Ag, Au, Pd, Pt and Rh) on CeO2 in enhancing activity toward soot oxidation: Active oxygen species and DFT calculations10.1016/j.jhazmat.2020.124085 ↗
8. SiO2@Pd@CeO2 catalyst with improved thermal stability: Effect of interaction between Pd and CeO2 on activity for CO oxidation
9. Effect of Ag loading on praseodymium doped ceria catalyst for soot oxidation activity10.1007/s11814-021-0933-y ↗
10. State-of-art review of NO Reduction technologies by CO, CH4 and H210.3390/pr9030563 ↗
11. Reactivity study of CO plus NO reaction over Pd/Al2O3 and Pd/CeZrO2 catalysts10.1016/j.cattod.2018.07.005 ↗
12. Low-Temperature Catalytic NO Reduction with CO by Subnanometric Pt Clusters10.1021/acscatal.9b03207 ↗
13. First-principles microkinetic analysis of NO plus CO reactions on Rh(111) surface toward understanding NOx reduction pathways10.1021/acs.jpcc.8b05906 ↗
14. Detailed mechanism of the NO plus CO reaction on Rh(100) and Rh(111): a first-principles study10.1016/j.apsusc.2018.03.059 ↗
15. The NO plus CO reaction catalyzed by flat, stepped, and edged Pd surfaces10.1006/jcat.2000.3147 ↗
16. High turnover frequency CO-NO reactions over Rh overlayer catalysts: a comparative study using Rh nanoparticles10.1021/acs.jpcc.9b00383 ↗
17. Emission of NH3 and N2O during NO reduction over commercial aged three-way catalyst (TWC): Role of individual reductants in simulated exhausts10.1016/j.ceja.2021.100222 ↗
18. NO dissociation and reduction by H2 on Pd(111): A first-principles study10.1016/j.jcat.2014.11.011 ↗
19. Recent advances in gasoline three-way catalyst formulation: a review10.1177/0954407019859822 ↗
20. A review on the Pd-based three-way catalyst10.1080/01614940.2014.977059 ↗
21. Automobile exhaust catalysts10.1016/S0926-860X(01)00818-3 ↗
22. NO reduction by H2 on the Rh(111) and Rh(221) surfaces: a mechanistic and kinetic study10.1021/acs.jpcc.5b10740 ↗
23. Catalytic NO activation and NOH2 reaction pathways10.1016/j.jcat.2014.07.012 ↗
24. Formation of NH3 and N2O in a modern natural gas three-way catalyst designed for heavy-duty vehicles: the effects of simulated exhaust gas composition and ageing10.1016/j.apcata.2017.12.017 ↗
25. Kresse · 2001
26. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
27. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
28. Special points for brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗
29. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
30. Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals10.1103/PhysRevB.59.7413 ↗
31. X-ray crystal analysis of thirteen common metals10.1103/PhysRev.17.571 ↗
32. NIST Computational Chemistry Comparison and Benchmark Database, in: R.D.J. III (Ed.) NIST Standard Reference Database Number 101, 2022.
33. A climbing image nudged elastic band method for finding saddle points and minimum energy paths10.1063/1.1329672 ↗
34. A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives10.1063/1.480097 ↗
35. Dumesic · 1993
36. On the reaction mechanism of direct H2O2 formation over Pd catalysts10.1021/acscatal.0c05548 ↗
37. Microkinetic modeling: a tool for rational catalyst design10.1021/acs.chemrev.0c00394 ↗
38. Nørskov · 2014
39. Asthagiri · 2014
40. Molecular-level descriptions of surface chemistry in kinetic models using density functional theory10.1016/j.ces.2004.09.038 ↗
41. DFT and microkinetic comparison of Pt, Pd and Rh-catalyzed ammonia oxidation10.1016/j.jcat.2020.01.029 ↗
42. Effect of Ag doping on Pd/Ag-CeO2 catalysts for CO and C3H6 oxidation10.1016/j.jhazmat.2021.125373 ↗
43. NO decomposition and reduction on Pt/Al2O3 powder and monolith catalysts using the TAP reactor10.1016/j.apcatb.2009.04.027 ↗
44. density functional theory calculations and analysis of reaction pathways for reduction of nitric oxide by hydrogen on Pt(111)10.1021/cs500668k ↗