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.