Background and aims <p>Mosses are crucial for restoring soil ecological functions, yet the effects of their diversity on soil multifunctionality (SMF) following vegetation restoration remain poorly understood in semi-arid areas.</p> Methods <p>We collected moss and underlying soil samples from four vegetation restoration types (restored forest, natural shrubland, restored shrubland and natural grassland) on the Loess Plateau to investigate how moss diversity affects SMF, considering the roles of microbial diversity (bacteria and fungi) and soil properties. Two soil gradients, including Soil-PC1 (pH, electrical conductivity, and clay content) and Soil-PC2 (bulk density), were identified across moss communities.</p> Results <p>Mosses under different vegetation restoration types were classified into distinct communities using two-way indicator species analysis (TWINSPAN), showing significant variations in moss diversity that co-varied with differences in SMF (<i>p</i> &lt; 0.05). Moss diversity had direct and indirect effects on SMF via bacterial diversity and soil gradient (Soil-PC1 and Soil-PC2), with the indirect effects stronger than the direct ones (standardized effect = 0.50 vs 0.28). Moss diversity had a direct effect on soil nitrogen cycling (path coefficient (<i>β</i>) = 0.22) and soil water retention (<i>β</i> = 0.32). It also indirectly influenced nitrogen cycling through bacterial diversity, and affected soil carbon sequestration, nitrogen cycling, phosphorus cycling, and water retention via soil gradients. Soil-PC1 positively affected SMF, mainly driven by high electrical conductivity and low pH, whereas Soil-PC2 negatively affected SMF.</p> Conclusion <p>These findings suggest that moss diversity, together with soil properties, are associated with soil functioning and should be considered in efforts to restore semi-arid ecosystems.</p>