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- Title
Highly Pseudocapacitive Storage Design Principles of Heteroatom‐Doped Graphene Anode in Calcium‐Ion Batteries.
- Authors
Gao, Yong; Li, Zhenglong; Wang, Pan; Cui, Wengang; Wang, Xiaowei; Yang, Yaxiong; Gao, Fan; Zhang, Mingchang; Gan, Jiantuo; Li, Chenchen; Liu, Yanxia; Wang, Xinqiang; Qi, Fulai; Zhang, Jing; Han, Xiao; Du, Wubin; Pan, Hongge; Xia, Zhenhai
- Abstract
Pseudocapacitive storage of multivalent ions, especially Ca2+, in heteroatom‐doped carbon nanomaterials is promising to achieve both high energy and power densities, but there is the lack of pseudocapacitive theories that enable rational design of the materials for calcium‐ion batteries. Herein, the general design principles are established for the anode materials of the batteries via density functional theory calculations and experimental verifications of a series of heteroatom‐doped graphene as an efficient pseudocapacitive anode. A novel descriptor Φ is proposed to correlate the intrinsic properties of dopants with the pseudocapacitive storage properties of the carbon‐based anode. The design principle and descriptor have the predictive ability to screen out the best dual‐doped graphene anode with 10 times higher Ca2+ storage capability than that of sole‐doped one, and exceed the current best Ca2+ storage anode materials.
- Subjects
LITHIUM-ion batteries; ELECTRIC batteries; ANODES; GRAPHENE; DENSITY functional theory; CALCIUM ions; ENERGY density; POWER density
- Publication
Advanced Functional Materials, 2023, Vol 33, Issue 50, p1
- ISSN
1616-301X
- Publication type
Article
- DOI
10.1002/adfm.202305610