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Despite extensive efforts, the major challenges, including unsatisfactory solar\u2010to\u2010hydrogen (STH) efficiency of less than 11.2% and limited long\u2010term stability of less than 3000 h, for the commercialization of PEC water\u2010splitting devices remain unresolved. To strengthen PEC performance and facilitate commercialization, we provide a comprehensive review of key fundamental mechanisms, recent advances in functional materials, interfacial engineering strategies, advanced characterization methods, and computational strategies. These aspects are interrelated and can synergistically form a feedback loop. In particular, computing strategies, which involve artificial intelligence (AI) for predicting device performance and automating experimental processes, can enable circulation within the feedback loop and hence accelerate the advancement of PEC water\u2010splitting devices toward commercial viability (STH efficiency: &gt;15% and long\u2010term stability: &gt;5 years). 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