TY - JOUR
T1 - Cu-doped Ba0.5Sr0.5FeO3-δ for electrochemical synthesis of hydrogen peroxide via a 2-electron oxygen reduction reaction
AU - Venkatesan, Senthil Velan
AU - Mostaghimi, Amir Hassan Bagherzadeh
AU - Thangadurai, Venkataraman
AU - Siahrostami, Samira
N1 - This research was financially supported in part by Canada First Research Excellence Fund. Samira Siahrostami and Amir Hassan Bagherzadeh Mostaghimi acknowledge the support provided by the Research Computing Service group at the University of Calgary. All authors thank Orrsam Aadil Abubaker, Dr. Kalpana Singh, and Samantha Luong for technical assistance in the experimental part and Dr. Kun Jiang for scientific advice and discussion.
This research was financially supported in part by Canada First Research Excellence Fund. Samira Siahrostami and Amir Hassan Bagherzadeh Mostaghimi acknowledge the support provided by the Research Computing Service group at the University of Calgary. All authors thank Orrsam Aadil Abubaker, Dr. Kalpana Singh, and Samantha Luong for technical assistance in the experimental part and Dr. Kun Jiang for scientific advice and discussion.
PY - 2023/6/15
Y1 - 2023/6/15
N2 - Electrochemical synthesis of hydrogen peroxide (H2O2) via a two-electron (2e–) oxygen reduction reaction (ORR) has emerged as a sustainable synthesis route compared to the anthraquinone oxidation synthesis process. Ba0.5Sr0.5Fe(1-x)CuxO3-δ perovskite is a particularly interesting electrocatalyst for ORR applications owing to its doping flexibility. In this study, we use experimental and computation approaches to study Ba0.5Sr0.5FeO3-δ with and without copper doping at the B-site for 2e– ORR. Our electrochemical measurements in oxygen-saturated alkaline solution show that the selectivity of perovskite electrocatalyst increases from 30% to 65% with (0.05) copper doping in the B-site and the onset potential is decreased. Density functional theory calculations are used to unravel the role of copper in driving high activity and selectivity toward 2e– ORR. Site-specific engineering of Ba0.5Sr0.5FeO3-δ by copper doping in the B-site exposed unique adsorption sites with improved activity and selectivity for H2O2 formation.
AB - Electrochemical synthesis of hydrogen peroxide (H2O2) via a two-electron (2e–) oxygen reduction reaction (ORR) has emerged as a sustainable synthesis route compared to the anthraquinone oxidation synthesis process. Ba0.5Sr0.5Fe(1-x)CuxO3-δ perovskite is a particularly interesting electrocatalyst for ORR applications owing to its doping flexibility. In this study, we use experimental and computation approaches to study Ba0.5Sr0.5FeO3-δ with and without copper doping at the B-site for 2e– ORR. Our electrochemical measurements in oxygen-saturated alkaline solution show that the selectivity of perovskite electrocatalyst increases from 30% to 65% with (0.05) copper doping in the B-site and the onset potential is decreased. Density functional theory calculations are used to unravel the role of copper in driving high activity and selectivity toward 2e– ORR. Site-specific engineering of Ba0.5Sr0.5FeO3-δ by copper doping in the B-site exposed unique adsorption sites with improved activity and selectivity for H2O2 formation.
KW - Density functional theory calculations
KW - electrochemical synthesis of hydrogen peroxide
KW - perovskites
KW - two-electron oxygen reduction reaction
U2 - 10.1002/elsa.202100140
DO - 10.1002/elsa.202100140
M3 - Article
AN - SCOPUS:85162092203
SN - 2698-5977
VL - 3
JO - Electrochemical Science Advances
JF - Electrochemical Science Advances
IS - 3
M1 - e2100140
ER -