Carbon nanotubes (CNTs) are receiving a great deal of attention as a catalyst support for different energy applications, due to their high surface area and high conductivity. Recent literature studies have shown that the application of CNTs mainly depends on their surface functionalization process. Typically, pristine CNTs (as produced) have no functional groups, which is usually considered as an obstacle to their widespread application. In this chapter, we highlight the different techniques used to functionalize the surface of CNTs, including physical and chemical functionalization processes. We show the advantages and the drawbacks of the different functionalization processes. Additionally, we explain in detail the different techniques used to characterize the CNTs before and after functionalization processes. Furthermore, we focus on polymer wrapping techniques of CNTs to create active nanocomposite materials for energy applications, in particular the applications in the agriculture field to fight pollution and make farming activity easier and more efficient.