Ongoing climatic changes induced by human activities increases in atmospheric carbon dioxide (CO2), which have considerable effects on the structure and function of ecosystems, including carbon (C) storage, plant functional traits and therefore on a wide set of ecosystem services. Plant functional diversity is benefit to improve plant photosynthesis and enhance C efficiency and therefore decrease CO2. Here, the focus of this article is on integrating of plant functional diversity and C storage, which aims to contribute to C sequestration for climate change mitigation following vegetation restoration in Loess Plateau, China. Firstly, the CWM (plant community-weighted mean) traits of the most abundant plant species can account for C storage in AGBC (above-ground biomass C), ALC (above-ground litter C), STC (soil total carbon) and TEC (total ecosystem carbon). Secondly, the CWM of plant height and LCC (leaf carbon concentration) had a positive effect C storage in different part (AGBC, ALC, STC and TEC), while the CWM of LNC (leaf nitrogen concentration) and SLA (specific leaf area) had a negative effect on C storage in different part. Further, the CWM of plant height, LCC, SLA and plant functional dispersion (FDis) can be used to predict C storage by multiple linear regression analysis. Finally, the positive association between FDis and C storage was found in SEM, shedding light on the key role of plant functional diversity driving C storage following vegetation restoration. The findings presented here highlight the importance of both plant traits of dominant species and plant functional diversity in regulating C storage, and show that favorable climate conditions, particularly vegetation restoration, tend to increase C storage and plant functional diversity, which have important implications for improving global C cycling and ecosystem services.