Unique adsorption behaviors of carboxylic acids at rutile TiO2(110)

Co-adsorption of oxygen and formic acid on rutile TiO 2 (110) studied by infrared reflection-absorption spectroscopy

“…TPD measurements have shown the presence of small amounts of formaldehyde at elevated temperatures around 550 K. From 18 O isotope experiments it was shown that two formate molecules reacts in a secondary pathway at O vac sites to form formaldehyde and carbon dioxide [19,36,49]. DFT calculations of carboxylic acids on rutile TiO 2 (110) surface have shown that the difference in binding energy between formate surrounded by a free hydrogen atom, and acetic acid, hydrogen carbonate or carbonate surrounded by a free or two free hydrogen atoms, is very small [50]. However, our collected IRRAS results show that the new species cannot be due to formaldehyde or acetic acid surface complexes as can be seen by the following analysis of our data.…”

Adsorption Structure and Mechanism of Styryl Phosphoric Acid at the Rutile–Water Interface

“…The FT-IR results showed chemical adsorption identified on the rutile surface where a chelate of O, O-five-membered rings with Ti 4+ may form on the rutile surface. The density functional theory (DFT) calculation was used to study the adsorption behaviors of carboxylic acid at rutile TiO 2 (110) [31]. The calculation results showed that carboxylic acid preferred to be dissociatively adsorbed in a bridging bidentate configuration and induced significant surface relaxation at the adsorption sites, which also influenced other close surface atoms.…”

Structure of a Model Dye/Titania Interface: Geometry of Benzoate on Rutile-TiO2 (110)(1 × 1)

“…[1][2][3][4] ). To date, most progress has been achieved for the simplest -COOH containing molecule, namely formic acid (HCOOH), on the prototypical rutile TiO 2 (110)(1×1) surface 2,[5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21] .…”