This review discusses the applications of defective zirconium-based metal-organic frameworks (Zr-MOFs) in energy and environmental remediation. Zr-MOFs are highly promising due to their unique properties and the ability to introduce defects that enhance their functionality. Defects in Zr-MOFs create open sites that facilitate the adsorption and remediation of pollutants, as well as catalytic activity for energy conversion processes like hydrogen production and CO₂ reduction. The review emphasizes the importance of defect manipulation, including control over their distribution and type, to optimize Zr-MOF performance. Tailored defect engineering and functional group selection improve selectivity and efficiency for specific applications. Pore size manipulation influences adsorption capacity and transport properties, expanding Zr-MOF potential in environmental remediation and energy conversion. Defective Zr-MOFs exhibit remarkable stability and synthetic versatility, making them suitable for diverse environmental conditions and allowing for the introduction of missing linkers, cluster defects, or post-synthetic modifications to tailor their properties. The review highlights the promising prospects of defective Zr-MOFs in addressing energy and environmental challenges, positioning them as versatile tools for sustainable solutions and paving the way for advancements in various sectors toward a cleaner and more sustainable future.This review discusses the applications of defective zirconium-based metal-organic frameworks (Zr-MOFs) in energy and environmental remediation. Zr-MOFs are highly promising due to their unique properties and the ability to introduce defects that enhance their functionality. Defects in Zr-MOFs create open sites that facilitate the adsorption and remediation of pollutants, as well as catalytic activity for energy conversion processes like hydrogen production and CO₂ reduction. The review emphasizes the importance of defect manipulation, including control over their distribution and type, to optimize Zr-MOF performance. Tailored defect engineering and functional group selection improve selectivity and efficiency for specific applications. Pore size manipulation influences adsorption capacity and transport properties, expanding Zr-MOF potential in environmental remediation and energy conversion. Defective Zr-MOFs exhibit remarkable stability and synthetic versatility, making them suitable for diverse environmental conditions and allowing for the introduction of missing linkers, cluster defects, or post-synthetic modifications to tailor their properties. The review highlights the promising prospects of defective Zr-MOFs in addressing energy and environmental challenges, positioning them as versatile tools for sustainable solutions and paving the way for advancements in various sectors toward a cleaner and more sustainable future.