Biomass currently contributes a considerable share of the total renewable energy use in the world. Bioenergy/biofuel production is recommended from non-food biomaterials such as energy crops, crop residues, and waste biomass to avoid food versus fuel conflict. The perennial energy crops are one of the most important lignocellulosic materials for bioenergy production. The economic and sustainable generation of bioenergy requires important development in both biomass production and conversion technologies. The intercropping of energy crops with other crops can provide a substantial source of biofuel and other bioenergy resources. Cultivation of energy crops in the surplus or contaminated lands is likely to help not only to achieve energy security but also to attain both environmental and socio-economic sustainability. These contaminated lands are not suitable for cultivation of food crops. Smallholder farmers, mainly of the developing countries, should participate in formulating the policy framework for energy crop cultivation and bioenergy production for socioeconomic and environmental sustainability. The bioenergy production from lignocellulosic biomass is difficult due to its complex composition that needs some costly mechanical and chemical pre-treatments of biomass materials. The chemical composition of different energy crops affected the hydrolysis rate constant (kh) and anaerobic degradation of complex biomass feedstocks. Therefore, the accurate feedstock assessment is required in anaerobic digestion technology for an efficient biogas plant operation and high rates of biogas production. However, there is a gap of knowledge regarding cultivation of energy crops considering socio-economic, ethical, and environmental issues particularly in the developing regions. The government and private stakeholders should invest in (1) agronomic research for cultivation of suitable energy crop species relating to the land characteristics and regional climate and (2) technological development for efficient recovery of bioenergy from biomass resources.