Dan Liu, Keliang Song, Haorui Zhang, Zhipeng Liu, Guansong He, Junru Wang, Wenming Yang, Xu Zhao, Zhijian Yang
Improved Energy Release of Ammonium Perchlorate This work establishes carbon curvature as a pivotal yet overlooked descriptor for catalytic energy release of ammonium perchlorate. Integrating machine learning with DFT reveals that high-curvature CNTs optimize the p band center, fundamentally strengthening HClO4 adsorption. This curvature-driven mechanism enables enhanced energy release, defining a geometry electronic activity framework for advanced energetic materials design. More details can be found in the Research Article by Wenming Yang, Xu Zhao, Zhijian Yang, and co-workers (DOI: 10.1002/adma.202504755).