Top

Journal of Materials Science

Published in:

03-01-2022 | Energy materials

Ni/Ce_xZr_1-xO₂ catalyst prepared via one-step co-precipitation for CO₂ reforming of CH₄ to produce syngas: role of oxygen storage capacity (OSC) and oxygen vacancy formation energy (OVFE)

Authors: Manohar Prasad, Koustuv Ray, Apurba Sinhamahapatra, Siddhartha Sengupta

Published in: Journal of Materials Science | Issue 4/2022

Activate our intelligent search to find suitable subject content or patents.

search-config

AI-assisted search

Off

Abstract

Ceria-zirconia solid solution (Ce_0.5Zr_0.5O₂)-supported Ni catalyst (15 wt. %) is prepared by one-step co-precipitation followed by calcination reduction for CO₂ reforming of CH₄ (DRM). Oxygen storage capacity (OSC) is measured by O₂ pulse injection at the reaction temperature. The solid solution is formed upon incorporating Zr⁴⁺ into ceria, subsequently accelerating oxygen mobility from lattice (bulk) to the surface, enhancing %Ce³⁺ due to increased oxygen vacancies, and thus improving OSC, reducibility, surface basicity, and Ni dispersion compared to pure CeO₂ and ZrO₂. The solid solution exhibits better conversions of CH₄ and CO₂, a higher H₂/CO ratio, and low carbon deposition compared to its pure counterpart. The density functional theory (DFT) studies unveil oxygen vacancy formation energy (OVFE) as a descriptor that decreased for Ce_0.5Zr_0.₅O₂ due to the incorporation of Zr⁴⁺ and enhanced mobility of O anions, OSC, and reducibility.

previous article Disordered carbon coating free Li0.2375La0.5875TiO3: a superior perovskite anode material for high power long-life lithium-ion batteries

next article Al2O3 coated single-crystalline hexagonal nanosheets of LiNi0.6Co0.2Mn0.2O2 cathode materials for the high-performance lithium-ion batteries

Dont have a licence yet? Then find out more about our products and how to get one now:

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

über 102.000 Bücher
über 537 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Finance + Banking
Management + Führung
Marketing + Vertrieb
Maschinenbau + Werkstoffe
Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

inform now

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

über 67.000 Bücher
über 390 Zeitschriften

aus folgenden Fachgebieten:

Automobil + Motoren
Bauwesen + Immobilien
Business IT + Informatik
Elektrotechnik + Elektronik
Energie + Nachhaltigkeit
Maschinenbau + Werkstoffe

Jetzt Wissensvorsprung sichern!

inform now

Available only for authorised users

Sukonket T, Khan A, Saha B et al (2011) Influence of the catalyst preparation method, surfactant amount, and steam on CO₂ reforming of CH₄ over 5Ni/Ce_0.6Zr_0.4O₂ Catalysts. Energy Fuels 25:864–877. https://doi.org/10.1021/ef101479yCrossRef

Li P, Chen X, Li Y, Schwank JW (2019) A review on oxygen storage capacity of CeO₂-based materials: influence factors, measurement techniques, and applications in reactions related to catalytic automotive emissions control. Catal Today 327:90–115. https://doi.org/10.1016/j.cattod.2018.05.059CrossRef

Kambolis A, Matralis H, Trovarelli A, Papadopoulou C (2010) Ni/CeO₂-ZrO₂ catalysts for the dry reforming of methane. Appl Catal A, Gen 377:16–26. https://doi.org/10.1016/j.apcata.2010.01.013CrossRef

Devaiah D, Reddy LH, Park S-E, Reddy BM (2018) Ceria–zirconia mixed oxides: synthetic methods and applications. Catal Rev 60:177–277. https://doi.org/10.1080/01614940.2017.1415058CrossRef

Kumari R, Sengupta S (2020) Catalytic CO₂ reforming of CH₄ over MgAl₂O₄ supported Ni-Co catalysts for the syngas production. Int J Hydrog Energy 45:22775–22787. https://doi.org/10.1016/j.ijhydene.2020.06.150CrossRef

Zhang F, Liu Z, Chen X et al (2020) The Effects of Zr-doping into ceria for the dry reforming of methane over Ni /CeZrO2 catalysts: in-situ Studies with XRD, XAFS and AP-XPS. ACS Catal 10:3274–3284. https://doi.org/10.1021/acscatal.9b04451CrossRef

Sengupta S, Deo G (2015) Modifying alumina with CaO or MgO in supported Ni and Ni-Co catalysts and its effect on dry reforming of CH4. J CO2 Util 10:67–77. https://doi.org/10.1016/j.jcou.2015.04.003CrossRef

Safavinia B, Wang Y, Jiang C et al (2020) Enhancing Ce_xZr_{1− x}O₂ activity for methane dry reforming using subsurface Ni dopants. ACS Catal 10:4070–4079. https://doi.org/10.1021/acscatal.0c00203CrossRef

Xiang X, Zhao H, Yang J et al (2016) Nickel based mesoporous silica-ceria-zirconia composite for carbon dioxide reforming of methane. Appl Catal A Gen 520:140–150. https://doi.org/10.1016/j.apcata.2016.04.020CrossRef

10.

Xu L, Song H, Chou L (2012) Mesoporous nanocrystalline ceria-zirconia solid solutions supported nickel based catalysts for CO₂ reforming of CH₄. Int J Hydrog Energy 37:18001–18020. https://doi.org/10.1016/j.ijhydene.2012.09.128CrossRef

11.

Zhang Z, Zhang Y, Mu Z et al (2007) Synthesis and catalytic properties of Ce_0.6Zr_0.4O₂ solid solutions in the oxidation of soluble organic fraction from diesel engines. Appl Catal B Environ 76:335–347. https://doi.org/10.1016/j.apcatb.2007.06.011CrossRef

12.

Kim JR, Myeong WJ, Ihm SK (2007) Characteristics in oxygen storage capacity of ceria-zirconia mixed oxides prepared by continuous hydrothermal synthesis in supercritical water. Appl Catal B Environ 71:57–63. https://doi.org/10.1016/j.apcatb.2006.08.015CrossRef

13.

Lan L, Chen S, Zhao M et al (2014) The effect of synthesis method on the properties and catalytic performance of Pd/Ce_0.5Zr_0.5O₂-Al₂O₃ three-way catalyst. J Mol Catal A Chem 394:10–21. https://doi.org/10.1016/j.molcata.2014.06.032CrossRef

14.

Dong XF, Zou HB, Lin WM (2006) Effect of preparation conditions of CuO-CeO₂-ZrO₂ catalyst on CO removal from hydrogen-rich gas. Int J Hydrog Energy 31:2337–2344. https://doi.org/10.1016/j.ijhydene.2006.03.006CrossRef

15.

Li J, Liu X, Zhan W et al (2016) Preparation of high oxygen storage capacity and thermally stable ceria–zirconia solid solution. Catal Sci Technol 6:897–907. https://doi.org/10.1039/C5CY01571ECrossRef

16.

Cao JL, Deng QF, Yuan ZY (2009) Mesoporous Ce_0.8Zr_0.2O₂ solid solutions-supported CuO nanocatalysts for CO oxidation: a comparative study of preparation methods. J Mater Sci 44:6663–6669. https://doi.org/10.1007/s10853-009-3582-9CrossRef

17.

Iglesias I, Baronetti G, Alemany L, Mari F (2018) Insight into Ni/Ce_1-x Zr_xO_2-δ support interplay for enhanced methane steam reforming. Int J Hydrog Energy 44:3668–3680. https://doi.org/10.1016/j.ijhydene.2018.12.112CrossRef

18.

Wang HF, Gong XQ, Guo YLYYL et al (2009) A model to understand the oxygen vacancy formation in Zr-doped CeO₂: electrostatic interaction and structural relaxation. J Phys Chem C 113:10229–10232. https://doi.org/10.1021/jp900942aCrossRef

19.

Chen HT, Chang JG (2010) Oxygen vacancy formation and migration in Ce_1-x Zr_xO₂ catalyst: a DFT+U calculation. J Chem Phys. https://doi.org/10.1063/1.3429314CrossRef

20.

Wang HF, Li HY, Gong XQ et al (2012) Oxygen vacancy formation in CeO₂ and Ce_1-xZr xO₂ solid solutions: electron localization, electrostatic potential and structural relaxation. Phys Chem Chem Phys 14:16521–16535. https://doi.org/10.1039/c2cp42220dCrossRef

21.

Cao X, Zhang C, Wang Z et al (2020) Surface reduction properties of ceria-zirconia solid solutions: a first-principles study. RSC Adv 10:4664–4671. https://doi.org/10.1039/c9ra09550kCrossRef

22.

Kim HJ, Jang MG, Shin D, Han JW (2020) Design of ceria catalysts for low-temperature CO oxidation. ChemCatChem 12:11–26. https://doi.org/10.1002/cctc.201901787CrossRef

23.

Scanlon DO, Morgan BJ, Watson GW (2011) The origin of the enhanced oxygen storage capacity of Ce_1-x(Pd/Pt)_xO₂. Phys Chem Chem Phys 13:4279–4284. https://doi.org/10.1039/c0cp01635gCrossRef

24.

Su YQ, Zhang L, Muravev V, Hensen EJM (2020) Lattice oxygen activation in transition metal doped ceria. Chin J Catal 41:977–984. https://doi.org/10.1016/S1872-2067(19)63468-6CrossRef

25.

Yang Z, Woo TK, Hermansson K (2006) Effects of Zr doping on stoichiometric and reduced ceria: a first-principles study. J Chem Phys 124:1–7. https://doi.org/10.1063/1.2200354CrossRef

26.

Sun Y, Li C, Djerdj I et al (2019) Oxygen storage capacity versus catalytic activity of ceria-zirconia solid solutions in CO and HCl oxidation. Catal Sci Technol 9:2163–2172. https://doi.org/10.1039/c9cy00222gCrossRef

27.

Möller R, Votsmeier M, Onder C et al (2009) Is oxygen storage in three-way catalysts an equilibrium controlled process? Appl Catal B Environ 91:30–38. https://doi.org/10.1016/j.apcatb.2009.05.003CrossRef

28.

Verykios XE (2003) Catalytic dry reforming of natural gas for the production of chemicals and hydrogen. Int J Hydrog Energy 28:1045–1063. https://doi.org/10.1016/S0360-3199(02)00215-XCrossRef

29.

Sengupta S, Ray K, Deo G (2014) Effects of modifying Ni/Al2O3 catalyst with cobalt on the reforming of CH4 with CO₂ and cracking of CH₄ reactions. Int J Hydrog Energy 39:11462–11472. https://doi.org/10.1016/j.ijhydene.2014.05.058CrossRef

30.

Estephane J, Aouad S, Hany S et al (2015) CO₂ reforming of methane over Ni-Co/ZSM5 catalysts. aging and carbon deposition study. Int J Hydrog Energy 40:9201–9208. https://doi.org/10.1016/j.ijhydene.2015.05.147CrossRef

31.

Usman M, Wan Daud WMA, Abbas HF (2015) Dry reforming of methane: Influence of process parameters—a review. Renew Sustain Energy Rev 45:710–744. https://doi.org/10.1016/j.rser.2015.02.026CrossRef

32.

Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77:3865–3868. https://doi.org/10.1103/PhysRevLett.77.3865CrossRef

33.

Perdew JP, Wang Y (1992) Accurate and simple analytic representation of the electron-gas correlation energy. Phys Rev B 45:244–249. https://doi.org/10.1103/PhysRevB.98.079904CrossRef

34.

Clark SJ, Segall MD, Pickard CJ et al (2005) First principles methods using CASTEP. Zeitschrift fur Krist 220:567–570. https://doi.org/10.1524/zkri.220.5.567.65075CrossRef

35.

Kresse G, Furthmüller J (1996) Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput Mater Sci 6:15–50. https://doi.org/10.1016/0927-0256(96)00008-0CrossRef

36.

Pastor-Pérez L, Le SE, Jones C et al (2018) Synthetic natural gas production from CO 2 over Ni-x/CeO₂ -ZrO₂ (x = Fe, Co) catalysts: Influence of promoters and space velocity. Catal Today 317:108–113. https://doi.org/10.1016/j.cattod.2017.11.035CrossRef

37.

Ay H, Üner D (2015) Dry reforming of methane over CeO2 supported Ni, Co and Ni-Co catalysts. Appl Catal B Environ 179:128–138. https://doi.org/10.1016/j.apcatb.2015.05.013CrossRef

38.

Goula MA, Charisiou ND, Siakavelas G et al (2017) Syngas production via the biogas dry reforming reaction over Ni supported on zirconia modified with CeO₂or La₂O₃catalysts. Int J Hydrog Energy 42:13724–13740. https://doi.org/10.1016/j.ijhydene.2016.11.196CrossRef

39.

Pan Q, Peng J, Sun T et al (2014) CO₂ methanation on Ni/Ce_0.5Zr_0.5O₂ catalysts for the production of synthetic natural gas. Fuel Process Technol 123:166–171. https://doi.org/10.1016/j.fuproc.2014.01.004CrossRef

40.

Aw MS, Osojnik Črnivec IG, Djinović P, Pintar A (2014) Strategies to enhance dry reforming of methane: synthesis of ceria-zirconia/nickel-cobalt catalysts by freeze-drying and NO calcination. Int J Hydrog Energy 39:12636–12647. https://doi.org/10.1016/j.ijhydene.2014.06.083CrossRef

41.

Wang Z, Qu Z, Quan X, Wang H (2012) Selective catalytic oxidation of ammonia to nitrogen over ceria-zirconia mixed oxides. Appl Catal A Gen 411–412:131–138. https://doi.org/10.1016/j.apcata.2011.10.030CrossRef

42.

Roh H, Potdar HS, Jun K et al (2004) Carbon dioxide reforming of methane over Ni incorporated into Ce–ZrO₂ catalysts. Appl Catal A, Gen 276:231–239. https://doi.org/10.1016/j.apcata.2004.08.009CrossRef

43.

Wolfbeisser A, Sophiphun O, Bernardi J et al (2016) Methane dry reforming over ceria-zirconia supported Ni catalysts. Catal Today 277:234–245. https://doi.org/10.1016/j.cattod.2016.04.025CrossRef

44.

Sutradhar N, Sinhamahapatra A, Pahari S et al (2011) Facile low-temperature synthesis of ceria and samarium-doped ceria nanoparticles and catalytic allylic oxidation of cyclohexene. J Phys Chem C 115:7628–7637. https://doi.org/10.1021/jp200645qCrossRef

45.

Pahari SK, Pal P, Sinhamahapatra A et al (2015) Efficient oxidation of hydrocarbons over nanocrystalline Ce_1-xSm_xO₂ (x = 0–0.1) synthesized using supercritical water. RSC Adv 5:45144–45151. https://doi.org/10.1039/c5ra05441aCrossRef

46.

Su D, Ford M, Wang G (2012) Mesoporous NiO crystals with dominantly exposed 110 reactive facets for ultrafast lithium storage. Sci Rep 2:1–7. https://doi.org/10.1038/srep00924CrossRef

47.

Marinho AL, Rabelo-Neto RC, Epron F, Bion N, Toniolo FS, Noronha FB (2020) Embedded Ni nanoparticles in CeZrO₂ as stable catalyst for dry reforming of methane. Appl Catal B Environ 268:118387. https://doi.org/10.1016/j.apcatb.2019.118387CrossRef

48.

Fan MS, Abdullah AZ, Bhatia S (2010) Utilization of greenhouse gases through carbon dioxide reforming of methane over Ni-Co/MgO-ZrO₂: Preparation, characterization and activity studies. Appl Catal B Environ 100:365–377. https://doi.org/10.1016/j.apcatb.2010.08.013CrossRef

49.

Roh H (2002) Highly active and stable Ni/Ce–ZrO₂ catalyst for H₂ production from methane. J Mol Catal A Chem 181:137–142. https://doi.org/10.1016/S1381-1169(01)00358-2CrossRef

50.

Zheng Y, Wei Y, Li K et al (2014) Chemical-looping steam methane reforming over macroporous CeO₂-ZrO₂ solid solution: Effect of calcination temperature. Int J Hydrog Energy 39:13361–13368. https://doi.org/10.1016/j.ijhydene.2014.04.116CrossRef

51.

Aribi K, Soltani Z, Ghelamallah M, Granger P (2018) Structure, morphology and reducibility of ceria-doped zirconia. J Mol Struct 1156:369–376. https://doi.org/10.1016/j.molstruc.2017.11.104CrossRef

52.

Montoya JA, Romero-pascual E, Gimon C et al (2000) Methane reforming with CO₂ over Ni / ZrO₂–CeO₂ catalysts prepared by sol—gel. Catal Today 63:71–85CrossRef

53.

Eltejaei H, Bozorgzadeh HR, Towfighi J, Omidkhah MR (2011) Methane dry reforming on Ni/Ce_0.75Zr_0.25O₂-MgAl₂O₄ and Ni/Ce_0.75Zr_0.25O_2-γ-alumina: Effects of support composition and water addition. Int J Hydrog Energy 37:4107–4118. https://doi.org/10.1016/j.ijhydene.2011.11.128CrossRef

54.

Dantas SC, Escritori JC, Soares RR, Hori CE (2010) Effect of different promoters on Ni/CeZrO₂ catalyst for autothermal reforming and partial oxidation of methane. Chem Eng J 156:380–387. https://doi.org/10.1016/j.cej.2009.10.047CrossRef

55.

Liu J, Zhao Z, Xu C, Liu J (2019) Structure, synthesis, and catalytic properties of nanosize cerium-zirconium-based solid solutions in environmental catalysis. Chin J Catal 40:1438–1487. https://doi.org/10.1016/S1872-2067(19)63400-5CrossRef

56.

Wokaun A, Alxneit I (2015) Correlation between the structural characteristics, oxygen storage capacities and catalytic activities of dual-phase Zn-modified ceria nanocrystals†. Catal Sci Technol 5:3556–3567. https://doi.org/10.1039/c5cy00351bCrossRef

57.

Hinuma Y, Toyao T, Kamachi T et al (2018) Density functional theory calculations of oxygen vacancy formation and subsequent molecular adsorption on oxide surfaces. J Phys Chem C 122:29435–29444. https://doi.org/10.1021/acs.jpcc.8b11279CrossRef

58.

Kumar P, Sun Y, Idem RO (2007) Nickel-based ceria, zirconia, and ceria—zirconia catalytic systems for low-temperature carbon dioxide reforming of methane. Energy Fuels 21:3113–3123. https://doi.org/10.1021/ef7002409CrossRef

59.

García-Diéguez M, Herrera C, Larrubia MÁ, Alemany LJ (2012) CO₂-reforming of natural gas components over a highly stable and selective NiMg/Al₂O₃ nanocatalyst. Catal Today 197:50–57. https://doi.org/10.1016/j.cattod.2012.06.019CrossRef

60.

Wu Q, Chen J, Zhang J (2008) Effect of yttrium and praseodymium on properties of Ce_0.75Zr_0.25O₂ solid solution for CH₄-CO₂ reforming. Fuel Process Technol 89:993–999. https://doi.org/10.1016/j.fuproc.2008.03.006CrossRef

61.

Makri MM, Vasiliades MA, Petallidou KC, Efstathiou AM (2016) Effect of support composition on the origin and reactivity of carbon formed during dry reforming of methane over 5wt% Ni/Ce_1-xM_xO_2-δ (M = Zr⁴⁺, Pr³⁺) catalysts. Catal Today 259:150–164. https://doi.org/10.1016/j.cattod.2015.06.010CrossRef

62.

Nguyen TGH, Tran DL, Sakamoto M et al (2018) Ni-loaded ( Ce, Zr )O2-δ -dispersed paper-structured catalyst for dry reforming of methane. Int J Hydrog Energy 43:4951–4960. https://doi.org/10.1016/j.ijhydene.2018.01.118CrossRef

63.

Benguerba Y, Virginie M, Dumas C, Ernst B (2017) Methane dry reforming over Ni-Co/Al₂O₃: kinetic modelling in a catalytic fixed-bed reactor. Int J Chem React Eng. https://doi.org/10.1515/ijcre-2016-0170CrossRef

64.

Dębek R, Motak M, Galvez ME et al (2017) Influence of Ce/Zr molar ratio on catalytic performance of hydrotalcite-derived catalysts at low temperature CO₂ methane reforming. Int J Hydrog Energy 42:23556–23567. https://doi.org/10.1016/j.ijhydene.2016.12.121CrossRef

Title: Ni/CexZr1-xO2 catalyst prepared via one-step co-precipitation for CO2 reforming of CH4 to produce syngas: role of oxygen storage capacity (OSC) and oxygen vacancy formation energy (OVFE)
Authors: Manohar Prasad
Koustuv Ray
Apurba Sinhamahapatra
Siddhartha Sengupta
Publication date: 03-01-2022
Publisher: Springer US
Published in: Journal of Materials Science / Issue 4/2022
Print ISSN: 0022-2461
Electronic ISSN: 1573-4803
DOI: https://doi.org/10.1007/s10853-021-06720-5

Springer Professional

Abstract

Please log in to get access to your license.

Dont have a licence yet? Then find out more about our products and how to get one now:

Springer Professional "Wirtschaft+Technik"

Springer Professional "Technik"

Other articles of this Issue 4/2022

Fabrication of full-spectrum response Bi2O4/BiO2−x heterojunction as high-performance photocatalyst for organic pollutants removal by a two-step hydrothermal method

Wet spinning of the graphene oxide composite liquid crystals toward graded utilization of waste heat

Nacre-like robust cellulose nanofibers/MXene films with high thermal conductivity and improved electrical insulation by nanodiamond

Humidity-resistant, durable, wearable single-electrode triboelectric nanogenerator for mechanical energy harvesting

Application of approximate Bayesian computation for estimation of modified weibull distribution parameters for natural fiber strength with high uncertainty

Toward the design of robust multilayer graphene: mechanistic understanding of the role played by interlayer interactions

Premium Partners