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Two-dimensional MgSiP_2 with anisotropic electronic properties and good performances for Na-ion batteries |
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| Authors: | Chunying Pu Jiahui Yu Ling Fu Jia Wang Houyong Yang Dawei Zhou Chaozheng He |
| Affiliation: | 1. Institute of Environment and Energy Catalysis, School of Materials Science and Chemical Engineering, Xi’an Technological University, Xi’an 710021, China;2. College of Physics and Electronic Engineering, Nanyang Normal University, Nanyang 473061, China;3. Shaanxi Key Laboratory of Optoelectronic Functional Materials and Devices, School of Materials Science and Chemical Engineering, Xi''an Technological University, Xi''an 710021, China |
| Abstract: | Using the global particle-swarm optimization method and density functional theory, we predict a new stable two-dimensional layered material: MgSiP2 with a low-b... |
| Keywords: | First-principles calculations Anode materials Sodium-ion batteries Carrier mobility |
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