期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 59, 期 32, 页码 13542-13546出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.202004454
关键词
alkali metals; cyano groups; graphdiyne; lithium ion batteries; methyl groups
资金
- National Natural Science Foundation of China [51822208, 21790051, 21771187, 21875274]
- Hundred Talents Program
- Frontier Science Research Project of the Chinese Academy of Sciences [QYZDB-SSW-JSC052]
- Natural Science Foundation of Shandong Province (China) [JQ201610]
The properties of graphdiyne (GDY), such as energy gap, morphology, and affinity to alkali metals, can be adjusted by including electron-withdrawing/donating groups. The push-pull electron ability and size differences of groups play a key role on the partial property adjusting of GDY derivatives MeGDY, HGDY, and CNGDY. Cyano groups (electron-withdrawing) and methyl groups (electron-donating) decrease the band gap and increase the conductivity of the GDY network. The cyano and methyl groups affects the aggregation of GDY, providing a higher number of micropores and specific surface area. These groups also endow the original GDY additional advantages: the stronger electronegativity of cyano groups increase the affinity of GDY frameworks to lithium atoms, and the larger atomic volume of methyl groups increases the interlayer distance and provides more storage space and diffusion tunnels.
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