Mohamed J. Saadh, Ali Basem, Mohammad H. Khaddour, Pawan Sharma, Laith Yassen Qassem, Abhishek Kumar, Rahadian Zainul, S.S. Abullais, Saiful Islam
Dual-atom catalysts (DACs) are expected to improve the catalytic activity compared to single-atom catalysts (SACs). This improvement is attributed to the synergistic interaction between adjacent bimetallic atoms in DACs. Recently, the highly active Fe2N5P sites embedded in covalent organic framework-derived carbon have been demonstrated to catalyze oxygen reduction reaction (doi:10.1021/acscatal.3c02186). Motivated by this fascinating finding of Fe2N5P-based DACs, their potential for catalyzing hydrogen evolution reaction (HER) has been investigated. Thus, electrocatalytic activities of the Fe2N6 and Fe2N5P-based DACs embedded in graphene layer were systematically investigated toward the HER. Our results show that the Fe2N6 site embedded in graphene shows high catalytic activity and selectivity toward the HER. However, our results reveal that the P atom in the Fe2N5P dual-site facilitates the × H formation and thus improves its catalytic activity toward HER due to a greater degree of synergistic effect. The computed Gibbs free energies confirm the higher feasibility of HER on the Fe center of Fe2N5P compared to the Fe2N6 DAC. © 2024 Elsevier B.V.
Faculty of Pharmacy, Middle East University, Amman, 11831, Jordan; Faculty of Engineering, Warith Al-Anbiyaa University, Karbala, 56001, Iraq; Department of Chemical Engineering and Petroleum Industries, Al-Amarah University College, Maysan, Iraq; Department of Chemistry, School of Sciences, Jain (Deemed-to-be) University, Karnataka, Bengaluru, 560069, India; Department of Sciences, Vivekananda Global University, Rajasthan, Jaipur, 303012, India; Department of Medical Laboratory Technics, Al-Noor University, Mosul, Iraq; School of Pharmacy-Adarsh Vijendra Institute of Pharmaceutical Sciences, Shobhit University, Uttar Pradesh, Gangoh, 247341, India; Department of Pharmacy, Arka Jain University, Jharkhand, Jamshedpur, 831001, India; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Indonesia; Center for Advanced Material Processing, Artificial Intelligence, and Biophysics Informatics (CAMPBIOTICS), Universitas Negeri Padang, Indonesia; Department of Periodontics and Community Dental Science, King Khalid University, College of Dentistry, Abha, Saudi Arabia; Civil Engineering Department, College of Engineering, King Khalid University, Abha, 61421, Saudi Arabia; INTI International University, Negeri Sembilan, Nilai, 71800, Malaysia; Superior University, Lahore, Pakistan
