Global expansion of coal mining subsidence areas presents severe ecological challenges including widespread soil degradation and heavy metal contamination. Our study proposes a transformative approach that reconsiders repurposing photovoltaic arrays as active ecological engineers rather than mere energy generators. We conducted a field investigation in a semi-arid subsidence area to examine how an agrophotovoltaic (APV) system influenced the adaptive strategies and remediation potential of two contrasting plant species, Medicago sativa and Hemerocallis hybrida. We observed APV-generated environmental heterogeneity characterized by significantly reduced light intensity and increased soil moisture, which together triggered fundamental functional differences between the two species. Medicago sativa exhibited a conservative resource-use strategy, with leaf thickening, increased biomass, and metal stabilization through an increased bioconcentration factor but a decreased translocation factor. In contrast, Hemerocallis hybrida adopted a resource-acquisition strategy by optimizing light capture and metal extraction efficiency, which was reflected in an increased translocation factor. Crucially, we identified the underlying mechanisms driving this functional specialization. Medicago sativa promoted metal immobilization through reduced organic acid secretion and increased oxidative enzyme activity, whereas Hemerocallis hybrida facilitated metal mobilization via increased acid secretion and hydrolytic enzyme production. These adaptations were mechanistically supported by differential carbon allocation to non-structural carbohydrates. As a result of these adaptations, APV reduced soil contamination indices by 25-35% and amplified ecosystem services. The integrated APV system also generated substantial economic-ecological co-benefits and synergistic service values. Our results establish APV as a synergistic ecological solution that concurrently addresses clean energy production and targeted ecological restoration, thereby providing a sustainable and mechanistically informed pathway for revitalizing degraded mining landscapes.