The Hunshandake Sandy Land is one of the largest sandy areas in China and the closest source of sand dust to the Beijing and Tianjing areas. Sand fixation by vegetation is considered the most efficient strategy for sand control and sustainable development, so clarifying the vegetation coverage and plant adaptation characteristics in the Hunshandake Sandy Land is helpful in guiding restoration and improving local sustainability. Here, we investigated the vegetation growth on the mobile sand dunes in the Hunshandake Sandy Land and specified the photosynthesis and stomatal characteristics of the pioneer plants for sand fixation. The vegetation survey showed that the windward slopes of the mobile sand dunes had far lower plant coverage (6.3%) and plant biodiversity (two species m−2) than the leeward ones (41.0% and eight species m−2, respectively). Elymus sibiricus L. and Agriophyllum squarrosum (L.) Moq. were the only two sand-fixing pioneer plants that grew on both the windward and leeward slopes of the mobile sand dunes and had higher plant heights, greater abundance, and more biomass than other plants. Physiological measurements revealed that Elymus sibiricus L. and Agriophyllum squarrosum (L.) Moq. also had higher photosynthetic rates, transpiration rates, and water use efficiency. In addition, the stomata density (151–197 number mm−2), length (18–29 μm), and area index (13–19%) of these two pioneer species were smaller than those of the common grassland species in Inner Mongolia, suggesting that they were better adapted to the dry habitat of the mobile sand dunes. These findings not only help in understanding the adaptive strategies of pioneer plants on mobile sand dunes, but also provide practical guidance for sand dune restoration and the sustainable development of local areas. Pioneer sand-fixing plant species that are well adapted to sand dunes can be used for sowing or aerial seeding in sand fixation during ecosystem restoration.