During the last few decades major advances have shed light on nanotechnology. Nanomaterials have been widely used in various fields such as medicine, energy, cosmetics, electronics, biotechnology and pharmaceuticals. Owing to their unique physicochemical characteristics and nanoscale structures, nanoparticles (NPs) have the capacity to enter into plant cells and interact with intracellular organelles and various metabolites. The effects of NPs on plant growth, development, physiology and biochemistry have been reported, but their impact on plant specialized metabolism (aka as secondary metabolism) still remains obscure. In reaction to environmental stress and elicitors, a common response in plants results in the production or activation of different types of specialized metabolites (e.g., alkaloids, terpenoids, phenolics and flavonoids). These plant specialized metabolites (SMs) are important for plant adaptation to an adverse environment, but also a huge number of them are biologically active and used in various commercially-valued products (pharmacy, cosmetic, agriculture, food/feed). Due to their wide array of applications, SMs have attracted much attention to explore and develop new strategies to enhance their production in plants. In this context, NPs emerged as a novel class of effective elicitors to enhance the production of various plant SMs. In recent years, many reports have been published regarding the elicitation of SMs by different types of NPs. However, in order to achieve an enhanced and sustainable production of these SMs, in-depth studies are required to figure out the most suitable NP in terms of type, size and/or effective concentration, along with a more complete understanding about their uptake, translocation, internalization and elicitation mechanisms. Herein, we are presenting a comprehensive and critical account of the plant SMs elicitation capacities of the three main classes of nanomaterials (i.e., metallic NPs (MNPs), metal oxide NPs (MONPs) and carbon related nanomaterials). Their different proposed uptake, translocation and internalization pathways as well as elicitation mechanism along with their possible deleterious effect on plant SMs and/or phytotoxic effects are summarized. We also identified and critically discussed the current research gaps existing in this field and requiring future investigation to further improve the use of these nanomaterials for an efficient production of plant SMs.