Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 23, Issue 34, Pages 18770-18776Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/d1cp02508b
Keywords
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Funding
- National Natural Science Foundation of China [51871089, 61674051]
- project for Science and Technology Correspondent of Tianjin City [20YDTPJC01710]
- S&T Program of Hebei [20311001D]
- Program for Guangdong Introducing Innovative and Enterpreneurial Teams [2016ZT06G025]
- open subject of State Key Laboratory of Research and Comprehensive Utilization of Rare Earth Resources in Baiyun Ebo [2020z2123]
- State Key Laboratory of Reliability and Intelligence of Electrical Equipment, Hebei University of Technology [EERI_PI2020009]
- Young Elite Scientists Sponsorship Program by Tianjin
- Overseas Scientists Sponsorship Program by Hebei Province [C20200319, C20210330]
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PAI-graphene, a new stable two-dimensional carbon allotrope, demonstrates outstanding performance as an anode material for Li-/Na-ion batteries with good conductivity, low open circuit voltage, and diffusion barrier.
Two-dimensional (2-D) materials, especially carbon allotropes, have larger storage capacity and faster diffusion rate due to their unique structures and are usually used in ion batteries. Recently, a new stable two-dimensional carbon allotrope, namely PAI-graphene, was reported by first-principles calculations. Due to its lightweight and multiple-ring structure, great stability and excellent properties, here, we theoretically reveal the excellent performance of PAI-graphene as an anode material for Li-/Na-ion batteries. Our results show that PAI-graphene has intrinsic metallicity before and after adsorption of Li/Na, which ensures that it has good conductivity when working as an electrode material. In addition, PAI-graphene exhibits quite low open circuit voltage (0.342-0.190 V for Li, 0.339-0.233 V for Na) and diffusion barrier (0.34 eV for Li, 0.17 eV for Na), which indicates its superiority as an anode material. Most noteworthily, the Na storage capacity of PAI-graphene is up to 1674 mA h g(-1), which is much higher than that of most 2-D anode materials. Thus, we believe that PAI-graphene can be an outstanding anode material with outstanding performance.
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