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Theoretical insights into the role of defects in the optimization of the electrochemical capacitance of graphene

Alex Aziz Wei Yu Rui Tang Rachel Crespo-Otero Devis Di Tommaso Hirotomo Nishihara

能源材料与器件（英文）2024，Vol.2Issue(3)：83-98,16.

能源材料与器件（英文）2024，Vol.2Issue(3)：83-98,16.DOI:10.26599/EMD.2024.9370035

Theoretical insights into the role of defects in the optimization of the electrochemical capacitance of graphene

Alex Aziz ¹Wei Yu ²Rui Tang ³Rachel Crespo-Otero ⁴Devis Di Tommaso ⁵Hirotomo Nishihara⁶

作者信息

1. Manchester Metropolitan University,Department of Natural Sciences,Manchester M1 5GD,United Kindom
2. Advanced Institute for Materials Research(WPI-AIMR),Tohoku University,Sendai 980-8577,Japan
3. College of Materials Science and Engineering,Hunan Joint International Laboratory of Advanced Materials and Technol-ogy for Clean Energy,Hunan Province Key Laboratory for Advanced Carbon Materials and Applied Technology,Hunan University,Changsha 410082,China
4. Department of Chemistry,University College London,London WC1H 0AJ,United Kindom
5. Department of Chemistry,School of Physical and Chemical Sciences,Queen Mary University of London,London E1 4NS,United Kindom
6. Advanced Institute for Materials Research(WPI-AIMR),Tohoku University,Sendai 980-8577,Japan||Institute of Multidisciplinary Research for Advanced Materials,Tohoku University,Sendai 980-8577,Japan
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摘要

关键词

implicit solvent models/electrical double layer/joint density functional theory/graphene based supercapaci-tors/quantum capacitance

Key words

implicit solvent models/electrical double layer/joint density functional theory/graphene based supercapaci-tors/quantum capacitance

引用本文复制引用

Alex Aziz,Wei Yu,Rui Tang,Rachel Crespo-Otero,Devis Di Tommaso,Hirotomo Nishihara..Theoretical insights into the role of defects in the optimization of the electrochemical capacitance of graphene[J].能源材料与器件（英文）,2024,2(3):83-98,16.

基金项目

A.A.is grateful to the JSPS for his JSPS fellowship.D.D.T.and R.C.O.thank the UK's Royal Society International Exchange Programme(IEC\R3\193106).This work was supported partially by JST SICORP(Grant No.JPMJSC2112)and JST Adaptable and Seamless Technology Transfer Program through Target-driven R&D(A-STEP)(Grant No.JPMJTR22T6),and JSPS KAKENHI(Grant No.22K14757).Calculations were performed using the U.K.National Supercomputing Facility ARCHER2(http://www.archer2.ac.uk)via our membership of the U.K.'s HEC Materials Chemistry Consortium,which is funded by the EPSRC(Grant Nos.EP/L000202 and EP/R029431)and the Molecular Modelling Hub for computational resources,MMM Hub,which is partially funded by EPSRC(Grant No.EP/P020194/1).This research has also utilized Queen Mary's Apocrita HPC facility,supported by QMUL Research-IT. （IEC\R3\193106）

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