Mechanisms and technological frontiers in inorganic surface engineering of diamond

Abstract Diamond materials have evolved from mere protective coatings to multifaceted platforms that facilitate advancements in various domains, including electronics, catalysis, energy storage, and quantum technologies. Recent advancements in inorganic functionalization – including heteroatom doping, covalent grafting, plasma activation, nanostructuring, and hybridization with two-dimensional materials now afford meticulous control over band structure, surface energy, defect chemistry, and charge-transport dynamics. Nevertheless, existing scholarly reviews predominantly present qualitative analyses and lack quantitative frameworks that elucidate the impact of these modifications on overall performance. This review presents a comprehensive, data-driven synthesis, supported by meta-analysis tables that aggregate capacitance values, electrochemical windows, carrier mobilities, defect densities, thermal conductivities, sensitivity metrics, and NV-center coherence times, derived from over 97 studies. A methodical workflow establishes connections between synthesis methodologies, atomic modifications, resultant properties, and device-level functionalities. The evaluation of technology readiness and sustainability is conducted through Technology Readiness Level (TRL) mapping, assessment of industrial chemical vapor deposition (CVD) energy requirements, cost analyses, and environmental impact considerations, in alignment with Sustainable Development Goals. Emerging applications such as neuromorphic processors, quantum photonic circuits, and flexible bioelectronics are scrutinized critically, with a particular emphasis on AI-assisted dopant optimization and defect prediction recognized as pivotal avenues for expediting the development of sustainable materials.