Rahadian Zainul, Ali Basem, Hassan A. Kenjrawy, Soumya V. Menon, Raghda Ali Bakr, Morug Salih Mahdi, Rajni Verma, A. Elawady, Saiful Islam
In the quest for the elaboration of advanced energy storage systems (EESs), sodium-ion batteries (SIBs) have emerged as a hopeful alternative to their lithium-ion counterparts, owing to the abundant availability of sodium. This article delves into the utilization of carbon-doped β12 borophene as an anode material for SIBs using density functional theory (DFT) calculations. Based on the band structure calculations, the metallic electronic character of this structure facilitates rapid electron transfer, contributing to its superior performance. Moreover, the remarkably low-energy barrier of 0.066–0.328 eV for migration ensures efficient sodium ion transport, which is critical for new fast-charge technology and better charge/discharge performance. Our investigation reveals that carbon-doped β12 Borophene's two-dimensional structure, high electrical conductivity, and theoretical capacity of 1972 mAh g−1 make it an ideal candidate for SIB anodes, offering a new avenue for the development of low cost and high-capacity energy storage solutions. © 2024 Elsevier B.V.
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; Faculty of Engineering, Warith Al-Anbiyaa University, Karbala, 56001, Iraq; Department of Electrical Engineering Techniques, Al-Amarah University College, Maysan, Iraq; Department of Chemistry and Biochemistry, School of Sciences, JAIN (Deemed to be University), Karnataka, Bangalore, India; Department of Medical Laboratory Technics, College of Health and Medical Technology, Alnoor University, Mosul, Iraq; College of MLT, Al-Bayt University, Iraq; Department of Applied Sciences, Chandigarh Engineering College, Chandigarh Group of Colleges, Jhanjeri, Punjab, Mohali, 140307, India; Civil Engineering Department, College of Engineering, King Khalid University, Abha, 61421, Saudi Arabia; Research Fellow, INTI International University, Negeri Sembilan, Nilai, 71800, Malaysia; Professor Fellow, Superior University, Lahore, Pakistan; Independent Researcher, India
