As one of the environmentally friendly and renewable carbon resources, biomass feedstocks can be further valorized into various high-end chemicals and liquid biofuels through chemical catalysis. To date, bioenergy is emerging as a promising candidate to replace the utilization of non-renewable fossil fuels. The development of biomass energy production technologies is seen as an important strategy for human society to alleviate its huge dependence on non-renewable resources and to avoid excessive emissions of greenhouse gases. Nanocomposites play an important role in biomass energy production owing to their modifiable catalyst nanostructures, versatile active sites and their controllable catalytic effects. In this chapter, we intend to demonstrate the key catalytic role of nanocomposites for the catalytic synthesis of levulinic acid esters derived from biomass feedstocks, valeric biofuels and furan-based biofuels, which are considered to be carbon-based bioenergy molecules with promising applications. The viewpoints offered herein this chapter might be conducive to the theoretical perception of the key role of multifunctional active sites of nanocomposites and the scientific design of novel nanocomposites for the next-generation bioenergy production.