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Over the past few decades, bioenergy production from heavy metalcontaminated biomass (HMCB) has been drawing increasing attention from scientists in diverse disciplines and countries owing to their potential roles in addressing both energy crisis and environmental challenges. In this review, bioenergy recovery from HMCBs, i.e. contaminated plants and energy crops, using thermochemical processes (pyrolysis, gasification, combustion, and liquefaction) has been scrutinized. Furthermore, the necessity of the implementation of practical strategies towards sustainable phytoextraction and metalfree biofuels production has been critically discussed. To meet this aim, the paper firstly delivers the fundamental concepts regarding phytoremediation approach, and then, reviews