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- W4213307431 abstract "We have studied the surface chemistry of tert-butanol ((CH3)3COH) on reduced and oxidized rutile (R-) TiO2(110) surfaces using the temperature-programmed desorption (TPD) method. On the reduced R-TiO2(110) surface, (CH3)3COH molecules mainly decompose into isobutene (iso-C4H8) and water (H2O) at the oxygen vacancy (Ov) sites at about 440 K, with a small amount of iso-C4H8 formed on the five-coordinated Ti4+ sites (Ti5c). On the oxidized R-TiO2(110) surfaces, Ov’s can be occupied by O2, thus inhibiting the iso-C4H8 formation channel at the Ov sites. However, a new reaction pathway for iso-C4H8 production occurs on the Ti5c sites and gradually becomes dominant with increasing O2 exposure. At 0.5 L O2 exposure, the yield of iso-C4H8 production is nearly 5 times bigger than that on the reduced surface, illustrating that surface oxidation can enhance iso-C4H8 formation on R-TiO2(110) significantly. In addition, a small amount of (CH3)3COH can be detected at about 500 K, which is attributed to recombinative desorption of tert-butyl ((CH3)3CO) and OH groups. More interestingly, a low-temperature pathway possibly producing an alkene product on the oxidized surface was observed. Our results demonstrate that surface oxidation can not only enhance iso-C4H8 production via the dehydration of (CH3)3COH but also alter reaction channels, which provides a deeper insight into oxide-based catalysis." @default.
- W4213307431 created "2022-02-24" @default.
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- W4213307431 date "2022-02-15" @default.
- W4213307431 modified "2023-10-14" @default.
- W4213307431 title "<i>tert</i>-Butanol Chemistry on Rutile TiO<sub>2</sub>(110): The Effect of Surface Oxidation" @default.
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- W4213307431 doi "https://doi.org/10.1021/acs.jpcc.2c00844" @default.
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