Dasgupta, Sanchari and Mukhopadhyay, Madhumita and Das, Debasis and Mukhopadhyay, Jayanta (2020) Evaluation of functionality in Ni@stabilized ZrO2 and NiO@NiO-Zn through X-ray diffraction technique. Materials Chemistry and Physics, 254. Art No-123112. ISSN 0254-0584

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A mathematical model is developed for calculating X-ray penetration depth based on the theories of diffraction to quantitatively characterize the heterogeneous functional materials with core-shell morphology. Functional materials viz. Ni@stabilized ZrO2 (SZ) and NiO@NiO-Zn are synthesized and penetration depth (xi Ni/xi NiO) is calculated. Ni@SZ and NiO@NiO-Zn function as effective catalyst for methane steam reformation and olefin epoxidation respectively. Functionality of the catalysts lies in the core-shell morphology with interconnection among the phases. The author's aim to optimize the shell thickness using the mathematical model and correlate with the catalyst activity. Sequential increase of Ni-content in Ni@SZ from 25 to 40 vol % results in reduction of penetration depth similar to 2.1 to 0.8 mu m] relative to core (xi(S)(Z-core)) thereby restricting the SZ contribution and limiting the oxide ion percolation. Similarly, surface coverage of nano NiO onto NiO-Zn for olefine epoxidation requires the involvement of three zone region viz. NiO, Zn and pi electron cloud of the substrate. Effectivity of the catalytic activity of such NiO@NiO-Zn matrix is found optimum (4.3 mu m w.r.t.xi(NiO)) with the penetration depth derived from mathematical modeling. Hence, such modeling reveals its significance towards finding the penetration depth for core-shell type functional materials for catalysis compared to disperse heterogeneous catalyst.

Item Type: Article
Subjects: Engineering Materials
Divisions: Fuel Cell and Battery
Depositing User: Bidhan Chaudhuri
Date Deposited: 22 Jan 2021 11:46
Last Modified: 22 Jan 2021 11:46
URI: http://cgcri.csircentral.net/id/eprint/4844

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