To search for efficient electrocatalyst towards oxygen evolution reaction (OER) for sustainable energy production, a family of transition metal-tetracyanoquinodimethane (TM-TCNQ) (TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ru, Rh, Pd)monolayers have been studied by first principle based density functional theory (DFT) computations. The systematic investigations on various TM-TCNQ structures revealed that Ni-TCNQ monolayer exhibits best catalytic activity towards OER. At equilibrium potential (1.23 Vvs RHE), the free energy profile of Ni-TCNQ monolayer for different reaction intermediates is not completely downhill which points out that water could not be oxidized by the photo-generated holes at that potential. However, at and above 1.71 V, all the OER reaction steps on Ni-TCNQ surface is found to be thermodynamically downhill, measuring a low onset overpotential, ca. 0.48 V in acidic media (pH = 0). The estimated overpotential for other TM-TCNQ structures are comparatively higher to promote energy-efficient OER activity. The excellent performance of Ni-TCNQ monolayer as OER catalyst were explained in terms of volcano plot, scaling diagram, d-band centre model, band structure and charge analysis.