Is graphite nanomesh a promising anode for the Na/K-Ions batteries?

Yang，Chen1,2; Sun，Xiaotian3; Zhang，Xiuying1; Li，Jingzhen1; Ma，Jiachen1; Li，Ying1; Xu，Linqiang1; Liu，Shiqi1; Yang，Jie1; Fang，Shibo1; Li，Qiuhui1; Yang，Xiaoyu4,5; Pan，Feng6; Lu，Jing1,2,7,8; Yu，Dapeng9

2021-05-01

10.1016/j.carbon.2020.12.039

CARBON   影响因子和分区

0008-6223

1873-3891

Nowadays, the development of promising anodes for Na and K ion batteries (NIB and KIB) has got great attention due to their sustainable and renewable energy applications. Graphite is a good candidate but suffers from low Na (<35 mAhg) and K ion storage capacities (∼274 mAhg) in the experiments. In this paper, based on the first-principles calculations, we demonstrate that graphite nanomesh with the hole density of 46% (GN46) is a promising anode material for both the NIB and KIB. Remarkably, there are 361–482 mAhg ion storage capacity for the NIB and 482–602 mAhg ion storage capacity for the KIB in the GN46. The in-plane diffusion barriers of Na and K ions are calculated as small as 0.59 and 0.19 eV, respectively. Besides, the holey structure opens an additional out-plane diffusing channel with only 1/14 and 1/10 of the diffusion barrier of those in graphite for Na and K ions. These diffusing properties suggest an improved rate capacity for batteries. Finally, the GN46 shows relatively small superficial area change ratio of less than 3% during the charging process, implying safety in applications. Hence, graphite nanomesh is a promising anode for the NIB and KIB.

Anode material First-principles calculations Graphite nanomesh Rechargeable potassium-ion battery Rechargeable sodium-ion battery

SCI ; EI

英语

其他

Ministry of Science and Technology of China["2016YFB0700600","2017YFA206303"] ; National Natural Science Foundation of China[11674005,91964101,11664026]

Chemistry ; Materials Science

Chemistry, Physical ; Materials Science, Multidisciplinary

WOS:000630376700025

PERGAMON-ELSEVIER SCIENCE LTD

20210609894885

Anodes ; Calculations ; Diffusion barriers ; Graphite ; Ions ; Secondary batteries ; Storage (materials)

Alkali Metals:549.1 ; Storage:694.4 ; Secondary Batteries:702.1.2 ; Electron Tubes:714.1 ; Mathematics:921

CHEMISTRY

2-s2.0-85100424384

Scopus

1.State Key Laboratory for Mesoscopic Physics and Department of Physics,Peking University,Beijing,100871,China
2.Academy for Advanced Interdisciplinary Studies,Peking University,Beijing,100871,China
3.College of Chemistry and Chemical Engineering,And Henan Key Laboratory of Function- Oriented Porous Materials,Luoyang Normal University,Luoyang,471934,China
4.Computer Network Information Centre,Chinese Academy of Sciences,Beijing,100190,China
5.University of Chinese Academy of Sciences,Beijing,100049,China
6.School of Advanced Materials,Peking University,Shenzhen Graduate School,Shenzhen,518055,China
7.Collaborative Innovation Center of Quantum Matter,Beijing,100871,China
8.Beijing Key Laboratory for Magnetoelectric Materials and Devices,Beijing,100871,China
9.Shenzhen Institute for Quantum Science and Engineering and Department of Physics,Southern University of Science and Technology,Shenzhen,518055,China

Yang，Chen,Sun，Xiaotian,Zhang，Xiuying,et al. Is graphite nanomesh a promising anode for the Na/K-Ions batteries?[J]. CARBON,2021,176:242-252.

Yang，Chen.,Sun，Xiaotian.,Zhang，Xiuying.,Li，Jingzhen.,Ma，Jiachen.,...&Yu，Dapeng.(2021).Is graphite nanomesh a promising anode for the Na/K-Ions batteries?.CARBON,176,242-252.

Yang，Chen,et al."Is graphite nanomesh a promising anode for the Na/K-Ions batteries?".CARBON 176(2021):242-252.