Two-dimensional MnC as a potential anode material for Na/K-ion batteries: a theoretical study
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ORIGINAL PAPER
Two-dimensional MnC as a potential anode material for Na/K-ion batteries: a theoretical study Qinyi Chen 1 & Haochi Wang 1 & Hui Li 1 & Qian Duan 1,2 & Dayong Jiang 1,2 & Jianhua Hou 1,2 Received: 2 October 2019 / Accepted: 23 February 2020 # Springer-Verlag GmbH Germany, part of Springer Nature 2020
Abstract Sodium (Na)-ion batteries (NIBs) and potassium (K)-ion batteries (KIBs) have grabbed great attention because they are cheaper, more abundant in earth, and safer alternatives of lithium-ion batteries. However, the lack of anode materials for NIBs/KIBs with good performance has been the main obstacle. In this paper, we studied monolayer MnC by carrying out calculations on the basis of first principle study to see if it can be a potential anode material for NIBs and KIBs. Calculation results show that monolayer MnC processes good negative adsorption energies of − 2.83 eV for Na and − 2.16 eV for K. Moreover, MnC has comparable theoretical capacities for Na and K of 475 mAh/g and 253 mAh/g, respectively. Our calculation results manifest that the MnC can be a promising anode material for NIBs. Keywords Monolayer MnC . First principle study . Na-ion battery . K-ion battery . Anode material
Introduction Effective, safe, and low-cost electrochemical energy storage devices are in ever-growing demand due to the rapid development of handheld devices, electric vehicles, and energy storage [1–3]. Rechargeable lithium-ion batteries (LIBs) devices, which are capable of transferring electrons from one electrode to the other via external circuit, [4] with widely and commonly used in portable electric devices and electric vehicles, [5, 6] are facing limited future use in terms of its safety problems and finite reserve in earth [7]. Therefore, non-lithium-ion batteries have been explored in recent years [8–12]. Among them, sodium-ion batteries (NIBs) and potassium-ion batteries (KIBs), with their strikingly attractive features which are naturally abundant in earth, cost-efficient, and safe, [13–15] have caught the attention of many science researchers.
* Jianhua Hou [email protected] 1
School of Materials Science and Engineering, Changchun University of Science and Technology, Changchun 130022, People’s Republic of China
2
Engineering Research Center of Optoelectronic Functional Materials, Ministry of Education, Changchun 130022, People’s Republic of China
The selection of anode materials is of significant importance for NIBs/KIBs [16, 17]. Therefore, plenty researches have been attempted in finding possible future anode materials of NIBs/KIBs in later few years [10–12, 17–22]. Herein, we set our sight on two-dimensional (2D) materials as potential anode materials owing to their remarkable features which are large surface to volume ratios; sufficient adsorption sites; and excellent electronic, thermal, and mechanical properties [5, 10, 23]. MXenes refer to the two-dimensional transition metal carbides and nitrides with n layers of X, n + 1 layers of M. Lots of MXenes compounds have been successfully synthes
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