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<p>Catalytic oxidation mechanism of methane via transition metals Pt, Pd and Ag</p><h2></h2>
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dc |
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| Title Statement |
<p>Catalytic oxidation mechanism of methane via transition metals Pt, Pd and Ag</p><h2></h2> |
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| Added Entry - Uncontrolled Name |
Jun, Zhang ; Institute of Environmental Science, Shanxi University Tingting, Hu ; Institute of Environmental Science, Shanxi University Chuan, Dong ; Institute of Environmental Science, Shanxi University National Natural Science Foundation of China |
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| Uncontrolled Index Term |
theoretical & quantum chemistry;catalysis and analytical chemistry Methane, Catalytic oxidation, Transition metals, Density functional theory, C-H activation |
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| Summary, etc. |
<p class="Abstract">The mechanisms for catalytic oxidation of methane via transition metals Pd, Pt and Ag in gas phase have been theoretically investigated using density functional theory (DFT). The results reveal similar pathways of C-H activation via Pd, Pt with the formation of atom-molecule complex, transition state and product. Catalytic oxidation using Pd and Pt exhibited different reaction energies. The possible pathway of C-H activation via Ag has been proposed. First, the abstraction of H from CH<sub>4</sub> by Ag occurs followed by the dissociation of CH<sub>3</sub> and AgH. With the calculation of energy parameters and rate constants, the order of catalytic performance of the three transition metals has been found to be Pt>Pd>Ag. A theoretical foundation for the catalytic oxidation of methane by single active atoms has been established.</p> |
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| Publication, Distribution, Etc. |
Indian Journal of Chemistry -Section A (IJCA) 2020-10-19 14:05:24 |
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| Electronic Location and Access |
application/pdf http://op.niscair.res.in/index.php/IJCA/article/view/20726 |
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| Data Source Entry |
Indian Journal of Chemistry -Section A (IJCA); ##issue.vol## 57, ##issue.no## 12 (2018): INDIAN JOURNAL OF CHEMISTRY- SECTION A |
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| Language Note |
en |
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| Nonspecific Relationship Entry |
http://op.niscair.res.in/index.php/IJCA/article/download/20726/63757 http://op.niscair.res.in/index.php/IJCA/article/download/20726/63776 |
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Except where otherwise noted, the Articles on this site are licensed under Creative Commons License: CC Attribution-Noncommercial-No Derivative Works 2.5 India© 2015. The Council of Scientific & Industrial Research, New Delhi. |
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