journal article·2023-01

Microscopic impact mechanism of alkali earth metal poisoning and Ce modification on the deNOx over the γ-Fe2O3 (0 0 1) surface

Xuan Geng, Baozhong Zhu, Yunlan Sun, Jiuyu Chen, XinJian Zhou, Mengchen Li, Minggao Xu

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: Catalytic Processes in Materials Science · Catalysis and Oxidation Reactions · Catalysis and Hydrodesulfurization Studies

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

References (69)

Show source-provided references
1. Review of sulfur promotion effects on metal oxide catalysts for NOx emission control10.1021/acscatal.1c02197 ↗
2. Deactivation mechanism of multipoisons in cement furnace flue gas on selective catalytic reduction catalysts10.1021/acs.est.9b00337 ↗
3. Present status and perspectives in de-NOx SCR catalysis10.1016/S0926-860X(01)00832-8 ↗
4. L.L. Guido Busca, Gianguido Ramis, Francesco Berti, Chemical and mechanistic aspects of the selective catalytic reduction of NOx by ammonia over oxide catalysts: a review, Appl. Catal B: Environ. 18(1998)1-36. 10.1016/s0926-3373(98)00040-x.10.1016/S0926-3373(98)00040-X ↗
5. Z. Liu, S. Ihl Woo, Recent advances in catalytic deNOx science and technology, Catal Rev. 48(2006)43-89. 10.1080/01614940500439891.10.1080/01614940500439891 ↗
6. High calcium resistance of CeO2-WO3 SCR catalysts: Structure investigation and deactivation analysis10.1016/j.cej.2017.02.027 ↗
7. Enhanced activity of Ti-modified V2O5/CeO2 catalyst for the selective catalytic reduction of NOx with NH310.1021/ie504188s ↗
8. Promotion effect and mechanism of the addition of Mo on the enhanced low temperature SCR of NOx by NH3 over MnOx/γ-Al2O3 catalysts10.1016/j.apcatb.2018.12.080 ↗
9. Self-prevention of well-defined-facet Fe2O3/MoO3 against deposition of ammonium bisulfate in low-temperature NH3-SCR
10. Selective catalytic reduction of NOx with NH3 by using novel catalysts: state of the art and future prospects10.1021/acs.chemrev.9b00202 ↗
11. Low-temperature selective catalytic reduction of NO with NH3 over iron and manganese oxides supported on titania10.1016/S0926-3373(03)00100-0 ↗
12. Kinetics and mechanism of low-temperature SCR of NOx with NH3 over vanadium oxide supported on carbon-ceramic cellular monoliths
13. Comparison on the performance of α-Fe2O3 and γ-Fe2O3 for selective catalytic reduction of nitrogen oxides with ammonia10.1007/s10562-013-1017-3 ↗
14. The effect of different Ca precursors on the activity of manganese and cerium oxides supported on TiO2 for NO abatement10.1007/s11144-019-01714-6 ↗
15. Research on selective catalytic reduction (SCR) in cement kiln
16. The poisoning effect of alkali metals doping over nano V2O5-WO3/TiO2 catalysts on selective catalytic reduction of NOx by NH310.1016/j.cej.2010.11.020 ↗
17. An efficient novel regeneration method for Ca-poisoning V2O5-WO3/TiO2 catalyst10.1016/j.catcom.2016.06.017 ↗
18. The poisoning effect of Na+ and Ca2+ ions doped on the V2O5/TiO2 catalysts for selective catalytic reduction of NO by NH310.1016/j.apcatb.2009.10.022 ↗
19. Calcium poisoning mechanism on the selective catalytic reduction of NOx by ammonia over the γ-Fe2O3 (001) surface10.1007/s11356-022-21912-5 ↗
20. The promoting mechanism of doping Mn Co, and Ce on gas adsorption property and anti-SO2 oxidation over γ-Fe2O3(001) surface: a density functional theory study10.1016/j.colsurfa.2021.127218 ↗
21. Effect of Ce doping of TiO2 support on NH3-SCR activity over V2O5-WO3/CeO2-TiO2 catalyst10.1016/j.jes.2014.08.010 ↗
22. Novel V2O5-CeO2/TiO2 catalyst with low vanadium loading for the selective catalytic reduction of NO by NH310.1016/j.apcatb.2014.03.049 ↗
23. Characterization and FTIR studies of MnOx-CeO2 catalyst for low-temperature selective catalytic reduction of NO with NH310.1021/jp048431h ↗
24. Hydrogenation and dehydrogenation of graphite (0001) surface: a density functional theory study10.1088/0031-8949/2006/T124/018 ↗
25. Density functional theory studies of mechanistic aspects of the SCR reaction on vanadium oxide catalysts10.1016/S0021-9517(02)00031-3 ↗
26. Density functional theory calculation on the dissociation mechanism of nitric oxide catalyzed by Cu4 Cluster in ZSM-5 (Cu4-ZSM-5) and bimetal Cu3Fe in ZSM-5 (Cu3Fe-ZSM-5)10.1002/jccs.201500318 ↗
27. Adsorption properties of NO and NH3 over MnOx based catalyst supported on γ-Al2O310.1016/j.cej.2016.05.092 ↗
28. A density functional theory study on the selective catalytic reduction of NO by NH3 reactivity of α-Fe2O3 (001) catalyst doped by Mn, Ti, Cr and Ni10.1016/j.fuel.2020.117147 ↗
29. Quantum chemistry study of SCR-NH3 nitric oxide reduction on Ce-doped γ-Fe2O3 catalyst surface
30. DFT study of the molecular and crystal structure and vibrational analysis of cisplatin10.1016/j.saa.2017.01.008 ↗
31. Ab-initio simulations of materials using VASP: Density-functional theory and beyond10.1002/jcc.21057 ↗
32. A density functional theory study of propylene epoxidation mechanism on Ag2O (001) surface10.1039/C8CP04210A ↗
33. K. B. John P. Perdew, Matthias Ernzerhof, Generalized gradient approximation made simple, Phys Rev Lett. 77(1996)3865-8. 10.1103/PhysRevLett.77.3865.10.1103/PhysRevLett.77.3865 ↗
34. Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients10.1103/RevModPhys.64.1045 ↗
35. Implementation of gradient-corrected exchange-correlation potentials in Car-Parrinello total-energy calculations10.1103/PhysRevB.50.4954 ↗
36. Implementation of the DFT+U method and constrained DFT calculations for U and J within a pseudopotential formalism: application to FeO and LaVO310.3938/jkps.62.2155 ↗
37. Platinum-doped α-Fe2O3 for enhanced water splitting efficiency: a DFT+U study10.1021/jp512002f ↗
38. Electronic structure and optical properties of β-RbSm (MoO4)2 from spin polarization calculations: DFT+U10.1016/j.matchemphys.2017.02.011 ↗
39. Ab initiostudy of the (0001) surfaces of hematite and chromia: influence of strong electronic correlations10.1103/PhysRevB.70.125426 ↗
40. A DFT+U study of structure and reducibility of CenO2n-x (n⩽4, 0⩽x⩽n) nanoclusters10.1016/j.comptc.2011.11.009 ↗
41. W.A.E. Prabowo, Subagjo, Nugraha, M.K. Agusta, A.G. Saputro, S. Rustad, et al., Density functional study of methyl butanoate adsorption and its C-O bonds cleavage on MoS2-based catalyst with various loads of Ni promoters, J Phys Condens Matter. 31(2019)365001. 10.1088/1361-648X/ab2400.10.1088/1361-648X/ab2400 ↗
42. Theoretical insights into the poisoning effect of Na and K on α-Fe2O3 catalyst for selective catalytic reduction of NO with NH310.1016/j.apcata.2020.117968 ↗
43. Density functional theory study on improved reactivity of alkali-doped Fe2O3 oxygen carriers for chemical looping hydrogen production10.1016/j.fuel.2018.09.079 ↗
44. Theoretical insights into the mechanism of water oxidation on nonstoichiometric and titanium-doped Fe2O3 (0001)10.1021/jp5073654 ↗
45. Role of WO3 in the Hg oxidation across the V2O5–WO3–TiO2 SCR catalyst: a DFT study10.1021/jp407794g ↗
46. Study of the surface acidity of TiO2/SiO2 catalysts by means of FTIR measurements of CO and NH3 adsorption10.1016/j.jcat.2006.12.015 ↗
47. An experimental and DFT study of the adsorption and oxidation of NH3 on a CeO2 catalyst modified by Fe, Mn, La and Y10.1016/j.cattod.2014.04.034 ↗
48. L.J. Chen L, Ge M, DRIFT study on Cerium-Tungsten/Titiania catalyst for selective catalytic reduction of NOx with NH3, Environ Sci Technol. 44(2010)9590-6. 10.1021/es102692b.10.1021/es102692b ↗
49. Experimental and DFT study of the adsorption and activation of NH3 and NO on Mn-based spinels supported on TiO2 catalysts for SCR of NOx10.1016/j.commatsci.2019.01.025 ↗
50. Support promotion effect on the SO2 and K+ co-poisoning resistance of MnO2/TiO2 for NH3-SCR of NO10.1016/j.jhazmat.2021.126117 ↗
51. Study of the adsorption of NH3 and NOx on the nano-γ-Fe2O3 (001) surface with density functional theory10.1016/j.apsusc.2019.04.250 ↗
52. Density functional theory study on the reaction mechanism of selective catalytic reduction of NO by NH3 over the γ-Fe2O3 (001) surface10.1016/j.comptc.2020.113052 ↗
53. The smart surface modification of Fe2O3 by WO for significantly promoting the selective catalytic reduction of NO with NH310.1016/j.apcatb.2018.02.052 ↗
54. Mechanism of the selective catalytic reduction of NO with NH3 over MnOx/Al2O310.1006/jcat.1997.1789 ↗
55. Influence of iron state and acidity of zeolites on the catalytic activity of FeHBEA, FeHZSM-5 and FeHMOR in SCR of NO with NH3 and N2O decomposition10.1016/j.micromeso.2014.10.023 ↗
56. Adsorption mechanism of NH3, NO, and O2 molecules over MnxOy/Ni (111) surface: A density functional theory study10.1007/s10853-019-03929-3 ↗
57. The effects of manganese precursors on NO catalytic removal with MnOx/SiO2 catalyst at low temperature10.1007/s11144-020-01772-1 ↗
58. Deactivation of Ru/Al2O3 catalyst for preferential CO oxidation in the presence of low-concentration NH3 by nitrosyl species10.1246/cl.2006.734 ↗
59. Understanding the deposition and reaction mechanism of ammonium bisulfate on a vanadia SCR catalyst: a combined DFT and experimental study10.1016/j.apcatb.2019.118168 ↗
60. Reaction mechanism for NH3-SCR of NOx over CuMn2O4 catalyst10.1016/j.cej.2018.12.103 ↗
61. Identification of the reaction pathway and reactive species for the selective catalytic reduction of NO with NH3 over cerium–niobium oxide catalysts10.1039/C5CY01220A ↗
62. Deactivation of CeO2-TiO2 catalyst by K2SO4 for NH3-SCR: an experimental and DFT study10.1016/j.apsusc.2021.149196 ↗
63. Deactivation mechanism of potassium on the V2O5/CeO2 catalysts for SCR reaction: acidity, reducibility and adsorbed-NOx10.1021/es405602a ↗
64. Mechanistic investigation of the promotion effect of Bi modification on the NH3-SCR performance of Ce/TiO2 catalyst10.1021/acs.jpcc.7b10342 ↗
65. Microkinetic study of NO oxidation, standard and fast NH3-SCR on CeWO at low temperatures10.1016/j.cej.2021.130128 ↗
66. Influence of Ca doping on MnOx/TiO2 catalysts for low-temperature selective catalytic reduction of NOx by NH310.1016/j.catcom.2011.11.022 ↗
67. Soot combustion over CeO2 catalyst: the influence of biodiesel impurities (Na, K, Ca, P) on surface chemical properties10.1007/s11356-020-11918-2 ↗
68. Mechanistic insight into the selective catalytic reduction of NO by NH3 over α-Fe2O3 (001): a density functional theory study10.1039/C8CY02080A ↗
69. MnOx-CeO2 mixed oxides prepared by co-precipitation for selective catalytic reduction of NO with NH3 at low temperatures10.1016/j.apcatb.2004.01.023 ↗