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Article Dans Une Revue ACS Applied Materials & Interfaces Année : 2017

Investigating Unusual Organic Functional Groups to Engineer the Surface Chemistry of Mesoporous Silica to Tune CO 2 –Surface Interactions

Résumé

As the search for functionalized materials for CO2 capture continues, the role of theoretical chemistry is becoming more and more central. In this work, a strategy is proposed where ab initio calculations are compared and validated by adsorption microcalorimetry experiments for a series of, so far unexplored, functionalized SBA-15 silicas with different spacers (aryl, alkyl) and terminal functions (N3, NO2). This validation then permitted to propose the use of a nitro-indole surface functionality. After synthesis of such a material the predictions were confirmed by experiment. This confirms that it is possible to fine-tune CO2-functional interactions at energies much lower than those observed with amine species.
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Dates et versions

hal-01524626 , version 1 (03-05-2018)

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Emily Bloch, Eric Besson, Séverine Queyroy, Richard Llewellyn, Stéphane Gastaldi, et al.. Investigating Unusual Organic Functional Groups to Engineer the Surface Chemistry of Mesoporous Silica to Tune CO 2 –Surface Interactions. ACS Applied Materials & Interfaces, 2017, 9 (16), pp.14490 - 14496. ⟨10.1021/acsami.7b00901⟩. ⟨hal-01524626⟩
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