Carbon fiber composites are prohibitively expensive for a wide array of applications that
would greatly benefit from their superior specific strength and specific stiffness. Replacing …

Molecular simulations based on reactive force-fields (ReaxFF) have been applied as a
powerful tool for exploring the pyrolysis process of complex carbonaceous materials. It can …

Depolymerization is a promising strategy for recycling waste plastic into constituent
monomers for subsequent repolymerization. However, many commodity plastics cannot be …

Polymer-based aerogels are emerging as promising candidates for lightweight and high
performance electromagnetic (EM) wave absorption materials. In this study, an ultralight and …

Graphene inclusion in a polymer matrix is a promising route to significantly enhance the
mechanical properties of low-grade carbon fibers (CFs). Using ReaxFF molecular dynamics …

Blending polyacrylonitrile (PAN) with plastic wastes and bio-based polymers provides a
convenient and inexpensive method to realize cost-effective carbon fiber (CF) precursors. In …

Stress graphitization is a unique phenomenon at the carbon nanotube (CNT)–matrix
interfaces in CNT/carbon matrix (CNT/C) composites. A lack of fundamental atomistic …

Lithium–sulfur (Li–S) batteries have high theoretical energy density but low sulfur utilization
due to the inherent insulating nature of sulfur and the shuttle effect of polysulfides. Herein …

Human transport to Mars and deep-space explorations demand the development of new
materials with extraordinarily high performance-to-mass ratios. Promising candidates to fulfill …

Recent advancements in the field of two-dimensional (2D) materials have led to the
discovery of a wide range of 2D materials with intriguing properties. Atomistic-scale …