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Title: Insights into the Na + Storage Mechanism of Phosphorus-Functionalized Hard Carbon as Ultrahigh Capacity Anodes

Hard carbon as a typical anode material for sodium ion batteries has received much attention in terms of its low cost and renewability. Herein, phosphorus-functionalized hard carbon with a specific honeycomb briquette shaped morphology is synthesized via electrospinning technology. When applied as an anode material for Na + storage, it exhibits an impressively high reversible capacity of 393.4 mA h g -1 with the capacity retention up to 98.2% after 100 cycles. According to first-principle calculation, the ultrahigh capacity of the as-prepared anode is ascribed to the enhancement of Na-absorption through formation of P=O and P-C bonds in graphitic layers when doped with phosphorus. Furthermore, the increase of electron density around the Fermi level is found to be mainly caused by O atoms instead of P atoms.
Authors:
 [1] ;  [2] ;  [1] ;  [1] ;  [1] ;  [1] ;  [3] ;  [2] ;  [3] ; ORCiD logo [2]
  1. Beijing Institute of Technology, Beijing (People's Republic of China)
  2. Argonne National Lab. (ANL), Lemont, IL (United States)
  3. Beijing Institute of Technology, Beijing (People's Republic of China); Collaborative Innovation Center of Electric Vehicles in Beijing, Beijing (People's Republic of China)
Publication Date:
Grant/Contract Number:
AC02-06CH11357
Type:
Accepted Manuscript
Journal Name:
Advanced Energy Materials
Additional Journal Information:
Journal Volume: 8; Journal Issue: 18; Journal ID: ISSN 1614-6832
Publisher:
Wiley
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V); National Basic Research Program of China
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; first-principle calculations; hard carbon; phosphorous-functionalization; sodium ion batteries; ultrahigh capacity
OSTI Identifier:
1466401
Alternate Identifier(s):
OSTI ID: 1423911

Li, Yu, Yuan, Yifei, Bai, Ying, Liu, Yuanchang, Wang, Zhaohua, Li, Limin, Wu, Feng, Amine, Khalil, Wu, Chuan, and Lu, Jun. Insights into the Na+ Storage Mechanism of Phosphorus-Functionalized Hard Carbon as Ultrahigh Capacity Anodes. United States: N. p., Web. doi:10.1002/aenm.201702781.
Li, Yu, Yuan, Yifei, Bai, Ying, Liu, Yuanchang, Wang, Zhaohua, Li, Limin, Wu, Feng, Amine, Khalil, Wu, Chuan, & Lu, Jun. Insights into the Na+ Storage Mechanism of Phosphorus-Functionalized Hard Carbon as Ultrahigh Capacity Anodes. United States. doi:10.1002/aenm.201702781.
Li, Yu, Yuan, Yifei, Bai, Ying, Liu, Yuanchang, Wang, Zhaohua, Li, Limin, Wu, Feng, Amine, Khalil, Wu, Chuan, and Lu, Jun. 2018. "Insights into the Na+ Storage Mechanism of Phosphorus-Functionalized Hard Carbon as Ultrahigh Capacity Anodes". United States. doi:10.1002/aenm.201702781.
@article{osti_1466401,
title = {Insights into the Na+ Storage Mechanism of Phosphorus-Functionalized Hard Carbon as Ultrahigh Capacity Anodes},
author = {Li, Yu and Yuan, Yifei and Bai, Ying and Liu, Yuanchang and Wang, Zhaohua and Li, Limin and Wu, Feng and Amine, Khalil and Wu, Chuan and Lu, Jun},
abstractNote = {Hard carbon as a typical anode material for sodium ion batteries has received much attention in terms of its low cost and renewability. Herein, phosphorus-functionalized hard carbon with a specific honeycomb briquette shaped morphology is synthesized via electrospinning technology. When applied as an anode material for Na+ storage, it exhibits an impressively high reversible capacity of 393.4 mA h g-1 with the capacity retention up to 98.2% after 100 cycles. According to first-principle calculation, the ultrahigh capacity of the as-prepared anode is ascribed to the enhancement of Na-absorption through formation of P=O and P-C bonds in graphitic layers when doped with phosphorus. Furthermore, the increase of electron density around the Fermi level is found to be mainly caused by O atoms instead of P atoms.},
doi = {10.1002/aenm.201702781},
journal = {Advanced Energy Materials},
number = 18,
volume = 8,
place = {United States},
year = {2018},
month = {3}
}

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