In conclusion, we have synthesized

In conclusion, we have synthesized a high stability Ni(II)-based cubane cluster by solvothermal method and characterized its stability before and after electrocatalysis by PXRD, XPS, ESI-MS. At the same time, NI4 cubane cluster shows excellent performance in OER and UOR. To our knowledge, our catalyst is the first example of a single molecular cluster which can be utilized as bifunctional catalyst for electrochemical OER and UOR reaction. Mechanistic study based on DFT calculation suggests the Ni4 cubane cluster preferred the WNA mechanism via single active site; the ligand exchange reaction during the catalytic process reduce the unfavored steric repulson and stabilized the catalytic intermediate. Based on this work, we envision synthesizing cluster catalysts with a precise structure and higher activity in the future, and to conduct more detailed studies on the dynamic chemical processes in the catalytic process.