Modeling of novel materials in response to overcome the energy crises in the form of clean and recyclable resources is the requirement of the technological era. We utilized Density Functional Theory (DFT) based simulations in order to model monolayers OMoGeN2 and OWGeN2 and their optimized structural parameters were calculated. The stability of each material was confirmed from their per atom cohesive energies. The dynamical stabilities for the under-study materials were confirmed through phonon spectra having no soft modes and for thermal stability. Ab initio molecular dynamics (AIMD) computations were also performed at 300, 600 and 900 K. The electronic properties were investigated by computing their band structures and density of states. Indirect band gap semiconducting nature is observed in both monolayers, where the transition metals are dominant in contribution to the valence and conduction bands. Strain induced variation in band gap values with unaltered band nature is observed and the band gap range spans from 0.05 eV to 1.97 eV. For optoelectronic applications, real and imaginary part of the dielectric function are computed in free strain and strained environment. The absorption coefficient, refractive index, and extinction coefficient are also computed using the complex dielectric function. Boltzmann's transport theory is used to compute the power factor and ZT to quantify the thermoelectric efficiency of these layers. Transport calculations for the two compounds show dependence on strain; OMoGeN2 and OWGeN2 possess highly tunable thermoelectric properties with values of (ZT) approaching unity in the large range of chemical potentials.
