Journal articles
Investigating Unusual Organic Functional Groups to Engineer the Surface Chemistry of Mesoporous Silica to Tune CO 2 –Surface Interactions
Abstract : 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.
Cited literature [19 references]
https://hal-amu.archives-ouvertes.fr/hal-01524626
Contributor : Stéphane Gastaldi <>
Submitted on : Thursday, May 3, 2018 - 8:27:47 PM
Last modification on : Monday, November 30, 2020 - 4:08:04 PM
Long-term archiving on: : Tuesday, September 25, 2018 - 5:27:13 AM
Contributor : Stéphane Gastaldi <>
Submitted on : Thursday, May 3, 2018 - 8:27:47 PM
Last modification on : Monday, November 30, 2020 - 4:08:04 PM
Long-term archiving on: : Tuesday, September 25, 2018 - 5:27:13 AM
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