https://iochem-bd.bsc.es/browse/handle/100/313016 Creating_under_Coordinated_Dual-Atom_Sites_on_CeO2_for_CO2RR Tue, 07 Apr 2026 23:06:42 GMT 2026-04-07T23:06:42Z https://iochem-bd.bsc.es/browse/handle/100/313091 Title: /AIMD_calculations_on_2Pd-CeO2 AIMD_on_2Pd-CeO2_in_an_0_3V_Å_electric_field Authors: Wu, Tiantian Description: An 10 ps AIMD OUTCAR is very large, instead, the DFT OUTCAR and XDATCAR from 5 to 10 ps is uploaded. Mon, 06 Nov 2023 08:53:29 GMT https://iochem-bd.bsc.es/browse/handle/100/313091 2023-11-06T08:53:29Z https://iochem-bd.bsc.es/browse/handle/100/313090 Title: /AIMD_calculations_on_2Pd-CeO2 AIMD_on_2Pd-CeO2 Authors: Wu, Tiantian Description: An 10 ps AIMD OUTCAR is very large, instead, the DFT OUTCAR and XDATCAR from 5 to 10 ps is uploaded. Mon, 06 Nov 2023 08:53:25 GMT https://iochem-bd.bsc.es/browse/handle/100/313090 2023-11-06T08:53:25Z https://iochem-bd.bsc.es/browse/handle/100/313089 Title: /CO2RR_on_CeO2 CO2o_on_CeO2 Authors: Wu, Tiantian Description: CO2 is adsorbed as a carbonate on CeO2 Mon, 06 Nov 2023 08:36:00 GMT https://iochem-bd.bsc.es/browse/handle/100/313089 2023-11-06T08:36:00Z https://iochem-bd.bsc.es/browse/handle/100/313088 Title: /CO2RR_on_CeO2 CO2o+Vo_on_CeO2 Authors: Wu, Tiantian Description: Creating one oxygen vacancy near the CO2o on CeO2. Mon, 06 Nov 2023 08:35:58 GMT https://iochem-bd.bsc.es/browse/handle/100/313088 2023-11-06T08:35:58Z