A DFT-D2 study of formic acid adsorption at smectite edges based on pyrophyllite models
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DOI: 10.1016/j.cplett.2019.136687
Abstract: Abstract The adsorption of formic acid at smectite edges is investigated by DFT calculations using a model system based on pyrophyllite. Two cases are considered: (I) only the Si atoms are saturated with water molecules… read more here.
Keywords: formic acid; based pyrophyllite; smectite edges; adsorption ... See more keywords