Advanced strategies for the synthesis and modulation of 2D layered heterostructures for energy conversion and storage applications

Two-dimensional heterostructures (2D HSs) are popular candidates for sustainable energy conversion and storage applications through the synergetic combination of nanosized heterojunctions with intriguing functionalities. The properties of 2D heterointerfaces can be well-regulated for scaled-up applications through synthetic tuning and/or engineering design. In this perspective, the synthesis protocols of 2D heterostructure are first discussed, along with associated modulation strategies to better describe the required functionalities for scaled-up applications. Computational insights are also provided to regulate and predict the heterointerface of the outlined structures based on various models (e.g., atomic, micro, and mesoscale simulations). The role of modulated 2D heterostructures is highlighted with respect to the energy applications along with the current challenges for 2D heterostructure development. This review is anticipated to deliver new paths for the design and construction of 2D heterostructures toward the practical applications in multiple fields with a focus on energy conversion and storage.