This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• README.txt: Readme file
• Ni1.CeO2.zip: DFT calculations corresponding to the methane adsorbed (CH4), dissociated (CH3+H) and transition (TS) states on Ni1.CeO2 catalyst.
• Ni5+1.step.CeO2.zip: DFT calculations corresponding to the methane adsorbed (CH4), dissociated (CH3+H) and transition (TS) states on Ni5+1.step.CeO2 catalyst for the Cooperative and Non-Cooperative pathways defined in the manuscript.
• Ni4.2D.CeO2.zip: DFT calculations corresponding to the methane adsorbed (CH4), dissociated (CH3+H) and transition (TS) states on Ni4.2D.CeO2 catalyst for the Cooperative and Non-Cooperative pathways defined in the manuscript.
• Ni13.CeO2.zip: DFT calculations corresponding to the methane adsorbed (CH4), dissociated (CH3+H) and transition (TS) states on the interface or terrace of the Ni13.CeO2 catalyst.
• cat.zip: DFT calculations corresponding to the 4 models of Ni nanoclusters on CeO2(111): Ni1, Ni4.2D, Ni13 and Ni5+1.step and the DFT calculations corresponding to the 4 models of Ni nanoclusters in gas phase: Ni1.gas, Ni4.2D.gas, Ni13.gas and Ni5+1.step.gas