Designing low-cost, effective and greener materials via a non-sophisticated strategy is most important for future research. Here, they made a new dual endeavor using carbon dots (CDs) as an environment protection probe for selective detection of environmental toxins, followed by the solid-state structural reformer to prepare NiMoO4 (NM) via mechanochemical-based solid grinding method. The prepared CDs, NM and NM-CDs combination is examined through various techniques. The prepared CDs selectively detect Cr6+, Ru3+, and Doxycycline independently. Also, in this work, a groundbreaking strategy is found to prepare morphology-tailored NM using CDs through a solid-state grinding method without adding any other toxic solvents or reagents. The CDs-induced NM-CDs (15) look like a 2D nano-sheet with enriched surface area compared to its bare NM. The fabricated electrode provides the highest capacitance value of 1947 F g−1, almost three times grander than the bare 1D rod-like electrode. Then, fabricated asymmetric supercapacitor NM-CDs (15)//AC system delivers a high energy density of 43.9 Wh Kg−1 at a power density of 684 W Kg−1. Overall, a single CDs serve multiple roles in the environment and energy applications with a greener structure tailoring agent and a better booster for re energy storage properties.