Executive Summary : | The anode, cathode, and electrolyte are the three key components that determine how well a battery works and how much energy it can store. In the proposed project, we will focus on the development of MXene based anode of the rechargeable battery which then be used to assemble a coin cell. Due to its layered structure, conductivity, surface hydrophilicity, and superior mechanical qualities, MXene, a recently discovered family of two-dimensional (2D) materials, has shown promising results as a anode for lithium-ion batteries (LIBs) [1-3]. There are a number of reports on lithium-ion batteries (LIBs) anode based on MXenes such as Ti2CTx, , Ti₄N3Tx, Mo2CTx, V₄C3Tx, and Nb2CTx (Tx: varying concentration of functional groups: -O, -OH and -F). Among the MXenes, Nb2CTx is one of these materials that has received the least amount of attention of the researchers despite having a high theoretical capacity (576 mAh or g), a low ion diffusion barrier height (-35 MeV), and a low intercalation potential. However, like other MXenes, the pristine Nb-based Mxene has low experimentally attainable capacity, which restricts its use in LIBs. It has already been demonstrated that adding N, s, or P to 2D Ti2CTx can improve the material's electrical characteristics and chemical activity. In addition, functional groups (Tx) at different locations and different concentrations can greatly change the ion adsorption energy thereby making them more compatible for battery application. In light of the foregoing, we suggested creating a novel form of 2D Nb2CTx MXene that is Nitrogen (N), Phosphorus (P) doped and N, P-Co-doped Nb2CTx MXene with varying concertation of functional group. N, P doped and N, P-co-doped materials is expected to boost the electrochemical reaction rate performance of the anode by increasing the catalytic active sites and improving the ion or mass transport kinetics in addition to contributing to an improvement in lithium storage capacity. N, P doped and N, P-Co-doped Nb2CTx. Proposed MXene is expected to have a high lithium storage capacity (-550 mAh or g) with a life cycle of nearly 10,000 cycles at high charge currents (1C) and enables Li-ion battery with ultra-fast charging (1-5 minutes), which is far better than the commercially used graphite anode (storage capacity -370 mAh or g, charging time 15-25 minutes). The first step in this proposal will be to synthesize Nb2CTx MXene with varying concentration of functional group and testing its electrochemical performance as anode in Li-ion batteries. After that, based on DFT calculations, we will explore that out of the N, P doped and N, P-Co-doped Nb2CTx MXene which one have optimum electrochemical properties. We will then synthesize optimum doped Nb2CTx MXene that has been optimized with the help of experiments and theoretical technique. Finally, a functional coin cell with high capacity, stable and ultra-fast (optimum MXene-based) anode is proposed to be delivered. |
Co-PI: | Prof. Devendra Kumar Rai, Jaypee Institute of Information Technology, Noida, Uttar Pradesh, Dr. Dinesh Tripathi, Jaypee Institute of Information Technology, Noida, Uttar Pradesh, Dr. Manoj Tripathi, Jaypee Institute of Information Technology, Noida, Uttar Pradesh |