A Review on Challenges and Successes in Atomic-Scale Design of Catalysts for Electrochemical Synthesis of Hydrogen Peroxide
Samira Siahrostami, Santiago Jimenez-Villegas, Amir Hassan Bagherzadeh Mostaghimi, Seoin Back, Amir Barati Farimani, Haotian Wang, Kristin A. Persson, Joseph H. Montoya
Abstract
Hydrogen peroxide is a valuable chemical oxidant with a wide range of applications in a variety of industrial processes, especially in water sanitization. Electrochemical synthesis of hydrogen peroxide (H2O2) through a two-electron oxygen reduction reaction (2e-ORR) or a two-electron water oxidation reaction (2e-WOR) has emerged as an appealing process for onsite production of this chemically valuable oxidant. On-site produced H2O2 can be applied for wastewater treatment in remote locations or any applications where H2O2 is needed as an oxidizing agent. This Review studies the theoretical efforts in understanding the challenges in catalysis for electrochemical synthesis of H2O2 as well as providing design principles for more efficient catalyst materials.