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H2O2 production by photocatalysis has received considerable attention, while using MOF‐based materials as photocatalysts is still less explored. Ligand functionalization of MOFs is a decoration way at the molecular level, which provides the basis for the further modification of MOFs. In this concept, ligand functionalization of MOFs for photocatalytic H2O2 production has been systematically and extensively discussed. The strategies of ligand functionalization include grafting of functional groups (e. g. amino, methoxyl, boron and alkyl) and multiple ligand decoration. Correspondingly, some specific effects are achieved, e. g. improved charge carrier separation, enhanced O2 adsorption and hydrophobicity, which can realize efficient H2O2 production by photocatalysis. Meanwhile, reaction conditions and activities of photocatalytic H2O2 production have also been explicitly introduced in these studies. At last, the future perspectives are proposed. This concept sheds fresh light on the great potential of ligand functionalization of MOFs for photocatalytic H2O2 production. [ABSTRACT FROM AUTHOR]

[Display omitted] • The whole advancement of MOF-based photocatalysts for H 2 O 2 production was discussed. • Diverse tailoring strategies on MOFs for H 2 O 2 production were summarized in detail. • H 2 O 2 production pathways, activities and reaction conditions were elucidated. • Outlooks on current challenges and emerging opportunities were presented. Photocatalytic synthesis of H 2 O 2 is currently in the spotlight because of its green and sustainable nature, but the construction of photocatalysts with high efficiency is still the key. In this regard, emerging photocatalysts based on metal–organic frameworks (MOFs) have been revitalized for the green synthesis of H 2 O 2 with the various acclaimed merits of MOFs. Therefore, this review provides an insight into the overall progress of MOF-based photocatalysts for H 2 O 2 production through various modification strategies on MOFs, including molecular-level decoration (ligand and metal center decoration, defect and facet engineering), heterostructure construction (C 3 N 4 /MOFs, metal sulfides/MOFs and metal oxides/MOFs) and derivatization (metal oxides/sulfides and carbonaceous materials). Meanwhile, the corresponding pathways (oxygen reduction reaction and water oxidation reaction), performances and reaction conditions for photocatalytic H 2 O 2 production were elucidated. Finally, outlooks on current challenges and emerging opportunities in this research field were presented. We hope this review will inspire and contribute to the future development of both MOF-based catalysts and H 2 O 2 green production. [ABSTRACT FROM AUTHOR]