Keywords
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catalyst, nanostructure, metal adoption, oxidation reaction, adsorption energy
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Abstract
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In recent years, the discovery of efficient catalyst with low price to sulfur dioxide (SO2) oxidation
in normal temperature is a major concern in the industry. In present study, in first step the boron nitride
nanotube (BNNT) with Ge were adopted and the surface of Ge-adopted BNNT via O2 molecule were activated.
In second step the SO2 oxidation on activated Ge-BNNT surface via Langmuir Hinshelwood (LH)
and Eley Rideal (ER) mechanisms was investigated. Results show that O2 activated Ge-BNNT surface can
oxide the SO2 molecule via Ge-BNNT-O-O* + SO2 → Ge-BNNT-O-O*-SO2 → Ge-BNNT-O* + SO3 and
Ge-BNNT-O* + SO2 → Ge-BNNT + SO3 reactions. Results show that SO2 oxidation on activated Ge-BNNT
surface via the LH mechanism has lower energy barrier than ER mechanism. Finally, calculated parameters
reveal that activated Ge-BNNT is acceptable catalyst with low price and high performance for SO2 oxidation
in normal temperature.
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