Transition metal oxides have gathered momentum among the scientific community on account of their peculiar procession in physico-chemical, opto-electronic, magnetic, electrochemical, and biological attributes resulting from anisotropic charge distribution of partly filled d-orbitals, non-stoichiometric behaviour, and diverse oxidation states of the cations. The current work emphasize on the systematic synthesis and characterization of pure and zinc (Zn) incorporated nickel oxide (NiO) nanoparticles in varying concentrations ZnxNi1−xO (x = 0, 0.1, 0.2, and 0.3) via a scalable sol-gel approach assisting citric acid (C6H8O7) as a congealing factor. A series of extensive analyses were executed to investigate the structural, opto-electrical, and magnetic characteristics of prepared nanoparticles. X-Ray Diffraction (XRD) studies confirmed the face-centered cubic structure of as-synthesized samples and the corresponding crystallite size is found to decrease with an increasing dopant concentration as estimated from the Scherrer method. Scanning electron microscopy studies portrayed the spherical structure and porous nature of NiO nanoparticles. Particle size calculated from SEM shows the decreasing trend with dopant discrepancy which is in accordance with crystallite size measured from XRD results. Energy Dispersive X-ray (EDX) spectra revealed the presence of estimated molecular assembly in synthesized samples. The cubic configuration and the presence of functional groups existing in synthesized nanoparticles were endorsed from Fourier Transform Infra-Red (FTIR) spectra. The optical absorption spectrum examined from UltraViolet-visible (UV-vis) spectroscopy evaluates the energy bandgap and it is noticed to increase from 2.48 to 2.87 eV affirming the Burstein Moss shift. The energy dispersion of optical parameters plays a crucial contribution in optical materials pursuant to its prominence in optical communications and in fabricating novel devices for spectral dispersion. Optical and energy dispersion parameters evaluated from Wemple-DiDomenico (WDD) model and non-linear optical parameters were deliberated from optical studies. Urbach energy and another pivotal optical criterion highly correlated with the bandgap energy anchored in the fabrication of optoelectronic devices were assessed. The electrical characteristics such as dielectric constant, loss, and conductivity exhibited by pure and Zn doped nickel oxide nanoparticles were reported. Molecular electronic polarizability assessed through elementary solid-state parameters is in better concurrence with diverse relations like Clausius-Mossotti, Lorentz-Lorent, bulk modulus, optical electronegativity, energy band gap. The pore size distribution of substance matrix and the associated surface area were elucidated from Brunauer-Emmett-Teller (BET) analysis. Dispersive magnetic properties and two pivotal parameters were derived from the Law of Approach to Saturation (LAS) operandi. Further, microbial cell mechanism was illustrated through nano-architecture design, and the antibacterial and antifungal activity encountered by undoped and zinc doped NiO nanoparticles against different microbial strains were deeply discussed for pilot production of antimicrobial agents.