“…[2][3][4] Accordingly, huge amounts of carbon dioxide and other harmful air pollutants, such as SO 2 and NO x , are emitted upon the burning of fossil fuels for power generation. 5 Recently, it has been pointed out by different authors that two dimensional materials, such as AlB 6 , 6 Cu 2 Si, 7 transition metal-phthalocyanine (TM-Pc) monolayers, 8 single atom catalyst TM-TCNQ monolayers, 9 transition metal porphyrin sheets, 10 and Mn-graphene single-atom, 11 have the potential capacity to catalytically remove gas molecules, such as CO 2 , SO 2 and NO x , or transform them to other species. Among different sources of new/renewable energy options, hydrogen energy carriers have been receiving great attention due to their attractive and unique properties.…”