Atomistic insights into heterogeneous reaction of hydrogen peroxide on alumina particles: Combining DFT calculation and ReaxFF molecular dynamics simulations

Publication date: 5 October 2021Source: Colloids and Surfaces A: Physicochemical and Engineering Aspects, Volume 626Author(s): Shideng Yuan, Hua Zhang, Yuxi Wang, Ying Ma, Shiling Yuan

Source: Colloids and Surfaces A: Physicochemical and Engineering Aspects - June 26, 2021 Category: Chemistry Source Type: research