Single Ir atom anchored in pyrrolic-N4 doped graphene as a promising bifunctional electrocatalyst for the ORR/OER: a computational study

• Published in: Journal of colloid and interface science Vol. 607; no. Pt 2; pp. 1005 - 1013
• Main Authors: Li, Xinyi, Su, Zhanhua, Zhao, Zhifeng, Cai, Qinghai, Li, Yafei, Zhao, Jingxiang
• Format: Journal Article
• Language: English
• Published: Elsevier Inc 01.02.2022
• Subjects: Bifunctional catalysts; catalytic activity; density functional theory; DFT; electrochemistry; energy conversion; graphene; ORR/OER; oxygen; oxygen production; renewable energy sources; Single atom catalysts; TM-N/C materials; Bifunctional catalysts; TM-N/C materials; DFT; Single atom catalysts; ORR/OER

[Display omitted] The development of highly-efficient electrocatalysts with bifunctional catalytic activity for oxygen reduction reaction (ORR) and oxygen evolution reaction. (OER) still remains a great challenge for the large-scale application of renewable energy conversion and storage technologies...