阳极
锂(药物)
材料科学
锂离子电池
电池(电)
离子
无机化学
化学
电极
物理
热力学
物理化学
功率(物理)
医学
有机化学
内分泌学
作者
Byungryul Jang,Jahyun Koo,Minwoo Park,Hosik Lee,Jaewook Nam,Yongkyung Kwon,Hoonkyung Lee
摘要
Using the first-principles calculations, we explored the feasibility of using graphdiyne, a 2D layer of sp and sp2 hybrid carbon networks, as lithium ion battery anodes. We found that the composite of the Li-intercalated multilayer α-graphdiyne was C6Li7.31 and that the calculated voltage was suitable for the anode. The practical specific/volumetric capacities can reach up to 2719 mAh g−1/2032 mAh cm−3, much greater than the values of ∼372 mAh g−1/∼818 mAh cm−3, ∼1117 mAh g−1/∼1589 mAh cm−3, and ∼744 mAh g−1 for graphite, graphynes, and γ-graphdiyne, respectively. Our calculations suggest that multilayer α-graphdiyne can serve as a promising high-capacity lithium ion battery anode.
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