Theoretical insights into the effect of metal co-substituted CeO <sub>2</sub> (111) surfaces on oxygen vacancy formation and chemical looping CO <sub>2</sub> assisted CH <sub>4</sub> conversion to synthesis gas
Zeshan Wang, Yuelun Li, Yuxin Wang, Tao Li, Jiahao Zheng, Linan Huang, Huicong Zuo, Dong Tian, Hua Wang, Kongzhai Li
Abstract
to generate enough energy on the co-substituted surfaces to overcome the activation energy of the reaction. The formation of oxygen vacancies is facilitated by an extremely low oxygen vacancy formation energy, which in turn enhances the adsorption of reaction intermediates in the CL-DRM process onto the oxygen carrier. Nevertheless, an excessive accumulation of oxygen vacancies can drive the oxygen carrier into a hyperactivated condition, which may inhibit the desired reaction pathways and reduce the efficiency and selectivity of the CL-DRM process. The present study is of great importance for the design concept of oxygen carriers in CL-DRM and the application potential of oxygen vacancy regulation.