Rahadian Zainul, Ali Basem, Dheyaa J. Jasim, Anjan Kumar, Nancy Velasco, Barno Sayfutdinovna Abdullaeva, Mohsin O. AL-Khafaji, Khursheed Muzammil, Saiful Islam, Ahmed Elawady
Thanks to their unique attributes, potassium-ion batteries (KIBs) have aroused the interest of researchers in the field of energy storage. Developing KIBs with high performance has become significant with an increase in energy demands, which has also urged many research groups to aim at designing and fabricating novel materials with high capacity. Within this piece of research, the possibility of using a graphyne-like boron nitride monolayer (G-BNyenML) as an electrode in KIBs was investigated. N and B and N have been considered to be complementary options to be used as anode materials since the complement each other. The DFT calculations revealed that G-BNyenML had a structure with reliable mechanical attributes. The great conductance of the G-BNyenML was further substantiated by DOS calculations. The binding energy of the potassium atom was −1.29 eV, which was due to the charge transport of 0.49e from the potassium to the G-BNyenML. The specific capacity of G-BNyenML reached 1374 mAhg−1. Based on the CI-NEB calculations, the adatoms migrated easily via the anode and thew energy barrier and the diffusion coefficient were 0.56 eV and 5.14 × 10−14 cm2/s respectively. The obtained working voltage was very low (0.38 V), which demonstrated that the operation was safe and cyclability was good. Hence, the theoretical results revealed that G-BNyenML can be used a promising anode in KIBs. © 2024 Elsevier Ltd
Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Indonesia; Faculty of Engineering, Warith Al-Anbiyaa University, Karbala, 56001, Iraq; Department of Petroleum Engineering, Al-Amarah University College, Maysan, Iraq; Department of electronics and communication engineering, GLA University, Mathura, India; Facultad de Informática y Electrónica, Escuela Superior Politécnica de Chimborazo (ESPOCH), Panamericana Sur km. 1½, Riobamba, 060155, Ecuador; Department of Mathematics and Information Technologies, Vice-Rector for Scientific Affairs, Tashkent State Pedagogical University, Tashkent, Uzbekistan; Air conditioning and Refrigeration Techniques Engineering Department, Al-Mustaqbal University, Babylon, 51001, Iraq; Department of Public Health, College of Applied Medical Sciences, Khamis Mushait Campus, King Khalid University, Abha, 62561, Saudi Arabia; Civil Engineering Department, College of Engineering, King Khalid University, Abha, 61421, Saudi Arabia; College of technical engineering, the Islamic University, Najaf, Iraq; Center for Advanced Material Processing, Artificial Intelligence, Biophysics Informatics (CAMPBIOTICS), Universitas Negeri Padang, Padang, Indonesia; Research Fellow, INTI International University, Negeri Sembilan, Nilai, 71800, Malaysia
