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Papers
- [2021 - Science]: In situ manipulation of the active Au-TiO2 interface with atomic precision during CO oxidation (controlling Au-TiO2 interface)
- Experiments show that Au clusters rotate by 10° during CO oxidation at 500°C, and returns to normal after removing CO. If Au rotates at 500°C (reversible at this temperature, high activity, S$^{//}$), cooling to 20°C immediately preserves rotated Au clusters (one can make full use of this high active configuration).
- DFT calculations indicate these rotations originate from the change of O2 adsorption coverage at the Au-TiO2 interface.
- PDOS of Au-sd upshifts towards Fermi level (fig.3C -> fig.3D, S$^{=}$ -> S$^{//}$) -> easier to loss electrons from Au-sd -> more Au+ (confirmed by Bader charge) -> better catalytic activities with 0.51 eV barrier at S$^{//}$ (check Phys. Rev. Lett. 91, 266102 (2003). for explaining)
- No energy pathway at S$^{=}$
- How many times have TEM images been observed (reproducible)?