DFT Study on the Catalytic Activity of ALD-Grown Diiron Oxide Nanoclusters for Partial Oxidation of Methane to Methanol

2020 ◽  
Vol 124 (8) ◽  
pp. 1580-1592
Author(s):  
Melissa Barona ◽  
Carlo Alberto Gaggioli ◽  
Laura Gagliardi ◽  
Randall Q. Snurr
Keyword(s):  
Catalytic Activity ◽  
Partial Oxidation ◽  
Partial Oxidation Of Methane ◽  
Dft Study ◽  
Oxidation Of Methane

scholarly journals Oscillatory Behaviour of Ni Supported on ZrO2 in the Catalytic Partial Oxidation of Methane as Determined by Activation Procedure

Materials ◽  
2021 ◽  
Vol 14 (10) ◽  
pp. 2495
Author(s):  
Daniela Pietrogiacomi ◽  
Maria Cristina Campa ◽  
Ida Pettiti ◽  
Simonetta Tuti ◽  
Giulia Luccisano ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Partial Oxidation ◽  
Active Sites ◽  
Direct Reduction ◽  
Partial Oxidation Of Methane ◽  
Catalytic Partial Oxidation ◽  
Oxidation Of Methane ◽  
Short Contact Time ◽  
Oxidation Reduction ◽  
Ni Species

Ni/ZrO2 catalysts, active and selective for the catalytic partial oxidation of methane to syngas (CH4-CPO), were prepared by the dry impregnation of zirconium oxyhydroxide (Zhy) or monoclinic ZrO2 (Zm), calcination at 1173 K and activation by different procedures: oxidation-reduction (ox-red) or direct reduction (red). The characterization included XRD, FESEM, in situ FTIR and Raman spectroscopies, TPR, and specific surface area measurements. Catalytic activity experiments were carried out in a flow apparatus with a mixture of CH4:O2 = 2:1 in a short contact time. Compared to Zm, Zhy favoured the formation of smaller NiO particles, implying a higher number of Ni sites strongly interacting with the support. In all the activated Ni/ZrO2 catalysts, the Ni–ZrO2 interaction was strong enough to limit Ni aggregation during the catalytic runs. The catalytic activity depended on the activation procedures; the ox-red treatment yielded very active and stable catalysts, whereas the red treatment yielded catalysts with oscillating activity, ascribed to the formation of Niδ+ carbide-like species. The results suggested that Ni dispersion was not the main factor affecting the activity, and that active sites for CH4-CPO could be Ni species at the boundary of the metal particles in a specific configuration and nuclearity.

scholarly journals Studies of Nickel/Samarium-Doped Ceria for Catalytic Partial Oxidation of Methane and Effect of Oxygen Vacancy

Catalysts ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 731
Author(s):  
Andrew C. Chien ◽  
Nicole J. Ye ◽  
Chao-Wei Huang ◽  
I-Hsiang Tseng
Keyword(s):  
Catalytic Activity ◽  
Partial Oxidation ◽  
Partial Oxidation Of Methane ◽  
Catalytic Partial Oxidation ◽  
Doped Ceria ◽  
Syngas Production ◽  
Oxidation Of Methane ◽  
Metal Support Interaction ◽  
Metal Support ◽  
Temperature Programmed

We investigated the performance of nickel/samarium-doped ceria (Ni/SDC) nanocatalysts on the catalytic partial oxidation of methane (CPOM). Studies of temperature-programmed surface reaction and reduction reveal that catalytic activity is determined by a synergistic effect produced by Ni metals and metal-support interaction. Catalytic activity was more dependent on the Ni content below 600 °C, while there is not much difference for all catalysts at high temperatures. The catalyst exhibiting high activities toward syngas production (i.e., a CH4 conversion >90% at 700 °C) requires a medium Ni-SDC interaction with an Sm/Ce ratio of about 1/9 to 2/8. This is accounted for by optimum oxygen vacancies and adequate ion diffusivity in the SDCs which, as reported, also display the highest ion conductivity for fuel cell applications.

scholarly journals In Situ Encapsulated Pt Nanoparticles Dispersed in Low Temperature Oxygen for Partial Oxidation of Methane to Syngas

Catalysts ◽  
2019 ◽  
Vol 9 (9) ◽  
pp. 720 ◽  
Author(s):  
Junwen Wang ◽  
Lichao Ma ◽  
Chuanmin Ding ◽  
Yanan Xue ◽  
Yongkang Zhang ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
Transmission Electron Microscopy ◽  
Catalytic Activity ◽  
Low Temperature ◽  
Partial Oxidation ◽  
Pt Nanoparticles ◽  
Partial Oxidation Of Methane ◽  
Oxidation Of Methane ◽  
Transmission Electron

Highly dispersed ultra-small Pt nanoparticles limited in nanosized silicalite-1 zeolite were prepared by in situ encapsulation strategy using H2PtCl6·6H2O as a precursor and tetrapropylammonium hydroxide as a template. The prepared Pt@S-1 catalyst was characterized by X-ray diffraction (XRD), inductively coupled plasma (ICP), transmission electron microscopy (TEM), scanning transmission electron microscopy (STEM), N2 adsorption-desorption, CO adsorption, and TGA techniques and exhibited unmatched catalytic activity and sintering resistance in the partial oxidation of methane to syngas. Strikingly, Pt@S-1 catalyst with further reduced size and increased dispersibility of Pt nanoparticles showed enhanced catalytic activity after low-temperature oxygen calcination. However, for Pt/S-1 catalyst, low-temperature oxygen calcination did not improve its catalytic activity.

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