Get 20M+ Full-Text Papers For Less Than $1.50/day. Start a 14-Day Trial for You or Your Team.

Learn More →

Advanced Development Strategy of Nano Catalyst and DFT Calculations for Direct Synthesis of Hydrogen Peroxide

Advanced Development Strategy of Nano Catalyst and DFT Calculations for Direct Synthesis of... Hydrogen peroxide is a simple oxidizing agent. Its environmental benignness and effectiveness have led to a continuous increase in its use and production. Anthraquinone autoxidation (the AO process) is generally used to manufacture hydrogen peroxide (H2O2); however, this complex multi‐stage process releases large amounts of organic solvent into the environment and requires significant energy to operate. As a green and energy‐efficient production method, the direct synthesis of hydrogen peroxide (DSHP) from molecular hydrogen and oxygen can overcome the disadvantages of the AO process. However, DSHP has remained challenging until recently as severe mass‐transfer limitations and unavoidable side reactions result in insufficient selectivity for H2O2. However, beyond the conventional development methods for catalysts, recent advances in chemical and engineering fields can appreciably assist in the discovery of a “dream catalyst” for DSHP; high‐end computational methods and the facile surface‐controllable syntheses of nanocatalysts. This review addresses how a combination of density functional theory (DFT) calculations and nanocatalyst synthesis technologies lead to the development of high‐performance catalysts for DSHP, and provides guidelines on efficient methodologies for the development of catalysts through the use of cutting edge technologies. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Advanced Energy Materials Wiley

Advanced Development Strategy of Nano Catalyst and DFT Calculations for Direct Synthesis of Hydrogen Peroxide

Download PDF
33 pages

Loading next page...
 
/lp/wiley/advanced-development-strategy-of-nano-catalyst-and-dft-calculations-6rjnXLX0SL

References (154)

Publisher
Wiley
Copyright
© 2021 Wiley‐VCH GmbH
ISSN
1614-6832
eISSN
1614-6840
DOI
10.1002/aenm.202003121
Publisher site
See Article on Publisher Site

Abstract

Hydrogen peroxide is a simple oxidizing agent. Its environmental benignness and effectiveness have led to a continuous increase in its use and production. Anthraquinone autoxidation (the AO process) is generally used to manufacture hydrogen peroxide (H2O2); however, this complex multi‐stage process releases large amounts of organic solvent into the environment and requires significant energy to operate. As a green and energy‐efficient production method, the direct synthesis of hydrogen peroxide (DSHP) from molecular hydrogen and oxygen can overcome the disadvantages of the AO process. However, DSHP has remained challenging until recently as severe mass‐transfer limitations and unavoidable side reactions result in insufficient selectivity for H2O2. However, beyond the conventional development methods for catalysts, recent advances in chemical and engineering fields can appreciably assist in the discovery of a “dream catalyst” for DSHP; high‐end computational methods and the facile surface‐controllable syntheses of nanocatalysts. This review addresses how a combination of density functional theory (DFT) calculations and nanocatalyst synthesis technologies lead to the development of high‐performance catalysts for DSHP, and provides guidelines on efficient methodologies for the development of catalysts through the use of cutting edge technologies.

Journal

Advanced Energy Materials – Wiley

Published: Jul 1, 2021

Keywords: ; ;

There are no references for this article.