Sustainability has become a broad societal goal, aiming to ensure that human beings coexist safely and harmoniously with nature over a longer time. The influence of the COVID-19 pandemic on the global economy is coming to an end. The development and merits of sustainable energy supply, advanced technology, and economic features have received significant attention over the last few decades. However, significant gaps still exist with respect to how to design, construct, and implement hybrid and optimal energy systems with the lowest investment and cost. Since 2002, the Sustainable Development of Energy, Water, and Environment Systems (SDEWES) conferences have become a significant meeting venue for researchers to introduce, discuss, share, and disseminate novel concepts and ideas. This paper presents an overview of published articles in the Special Issues (SIs) dedicated by the series SDEWES conferences, especially those published in Energies recommended by the 16th SDEWES Conference, which was held on 10–15 October 2021 in Dubrovnik, Croatia. This SI in Energies focused on four main topics, including the application of renewable bioenergy, component enhancement in renewable systems, sustainable development for buildings and economic analysis and evaluation for sustainability. The collected papers provide insight into the topics related to recent advances in improving sustainable efficiency, including studies on waste-to-wealth techniques, utilization of hybrid bioenergy systems, heat exchangers and other components for performance enhancement, energy supply and demand analysis, low-temperature DHC systems, techno-economic assessment, and environmental evaluation.