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In this work, derivative Ga2S3 (D-Ga2S3) monolayers including Ga2S2Se-b, Ga2S2Se-m, and Ga2S2Se-t are designed. Their photocatalytic properties are also studied utilizing first-principles calculation. Theoretical outcomes demonstrate that the three D-Ga2S3 monolayers have strong driving forces for water splitting. The STH efficiency of single-layer Ga2S2Se-m and Ga2S2Se-t exceeds 18%, showing great economic prospects. More attractively, a qualitative correlation between STH efficiency and atomic replacement is established, giving helpful suggestions for further exploration of 2D photocatalysts.