The excessive CO emission has resulted in climate changes, which has threatened human existence. Photocatalytic and electrocatalytic CO reduction, driven by wind electricity and solar energy, are feasible ways of tackling carbon dioxide emission, as both energies are clean and renewable. Single-atom catalyst (SAC) is a candidate owing to excellent electrocatalytic and photocatalytic performance. Methods for preparing an SAC by using metal-organic frameworks (MOFs) as support or precursors are summarized. Also, applications in energy conversion are exhibited. However, the real challenge is to improve the selectivity of catalytic reactions to yield higher value products, which is to be discussed.