The irreversible formation of carbonate deposits on CeO2 leads to complete switching of catalytic selectivity resulting in the formation of benzene in gas-phase oxidation of benzyl alcohol. By integrating experimental spectra and theoretical calculations, we expect that such a shift is derived from further decarbonylation of benzaldehyde via easy trapping of CO fragments by surface carbonate species.
Bibliographical noteFunding Information:
We are grateful for financial support from the NSFC (21222307 and 2137318), and the Fundamental Research Funds for the Central Universities (FRFCU, 2014XZZX003-02). The NTU group thanks the financial support from MOE AcRFTier2 (MOE2012-T2-2-041, ARC 5/13, CREATE programme of NRF). The ECUST group thanks the financial support from the NSFC of China (21421004, 21322307), "ShuGuang" project of SHMEC and SHEDF (13SG30), and FRFCU (WD1313009). We also thank the National Super Computing Center in Jinan for computing time.