Hydrogen Peroxide Synthesis: Advanced Development Strategy of Nano Catalyst and DFT Calculations for Direct Synthesis of Hydrogen Peroxide (Adv. Energy Mater. 27/2021)

In article number 2003121, Kwan-Young Lee and co-workers review the ways in which recent advances in density functional theory (DFT) calculations and nanocatalyst synthesis technologies appreciably assist in the discovery of “dream catalysts”. As a green but challenging reaction, direct synthesis of hydrogen peroxide is a primary focus, in terms of the effective research methodologies and providing profound insights into catalyst developments.