期刊
ACS APPLIED ENERGY MATERIALS
卷 4, 期 5, 页码 4654-4661出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsaem.1c00273
关键词
carbon dots; layered double hydroxide; spatial confinement effect; density functional theory; supercapacitor
资金
- National Natural Science Foundation of China [61774033]
This study reports the surface spatial confinement effect on Mn-Co LDH@carbon dots to enhance charge transfer and stable structure for high-performance supercapacitors. By utilizing density functional theory calculations and ab initio molecular dynamics simulations, the study achieved improved density of states near the Fermi level and stable geometric structure.
The charge transport between layers of layered double hydroxide (LDH) with structural stability is generally considered as a key factor in restricting electrochemical performances. Herein, we report the surface spatial confinement effect on Mn-Co LDH@carbon dots (CDs) to enhance charge transfer and the stable structure for high-performance supercapacitors. The surface confined effect should be characterized as the charge transfer and interaction between Mn-Co LDH and CDs using density functional theory calculations. CDs can improve the density of states near the Fermi level to achieve an enhanced conductivity. The geometric structure can remain stable at room temperature within 200 fs by using ab initio molecular dynamics simulations. The two-electrode device gained the energy density of 79 W h kg(-1) and a power density of 666 W kg(-1) at 1 A g(-1). This design concept will help to design, prepare, and assemble the high-efficiency and long-lifetime electrochemical energy storage devices based on various layered materials.
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