In recent years, owing to intense urbanization and global change with the consequent extreme climate effects, interest in green roofs, even extensive ones, in the Mediterranean environment has increased. To this end, the choice of plant species is crucial because, owing to the identification of the most suitable plants, it will be possible to expand this type of green infrastructure and increase its ecosystem services in the urban environment. In this context, the objective of the review, through a critical analysis of some of the references on the topic, is to identify suitable criteria for plant species selection that are simple to apply and able to respond to the need to have plants capable of surviving, ensuring a suitable aesthetic effect, and providing essential ecosystem services. We also investigated whether, and to what extent, associations of different species can better adapt to the difficult environmental conditions of Mediterranean green roofs. Two possible strategies to identify the plant idiotype were analyzed: the analysis of plants present in habitat analogues or the identification of morpho-functional characters capable of discriminating the response to abiotic stress, and in particular to drought stress. The use of plant communities, rather than a single species, seems capable of improving aesthetic effects, plant survival, and ecosystem services.