Hydrogen Bonds Significantly Enhance Out-of-Plane Thermal and Electrical Transport in 2D Graphamid: Implications for Energy Conversion and Storage

Graphamid is a two-dimensional (2D) polymer. It was predicted to have superior mechanical properties owing to its strong hydrogen bonds. The knowledge of thermal and electrical transport properties in graphamid, which is critical to its future multifunctional applications, remains unknown. Using molecular dynamics simulations and first-principles calculations, we demonstrate that hydrogen bonds drastically enhance out-of-plane thermal and electrical transport in graphamid. The fundamental knowledge from this study can potentially advance the development of 2D hydrogen-bonded polymers for a diverse range of applications, including energy conversion and storage.