Theoretical insights into the role of defects in the optimization of the electrochemical capacitance of grapheneOA
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
Manchester Metropolitan University,Department of Natural Sciences,Manchester M1 5GD,United KindomAdvanced Institute for Materials Research(WPI-AIMR),Tohoku University,Sendai 980-8577,JapanCollege 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,ChinaDepartment of Chemistry,University College London,London WC1H 0AJ,United KindomDepartment of Chemistry,School of Physical and Chemical Sciences,Queen Mary University of London,London E1 4NS,United KindomAdvanced 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
implicit solvent modelselectrical double layerjoint density functional theorygraphene based supercapaci-torsquantum capacitance
implicit solvent modelselectrical double layerjoint density functional theorygraphene based supercapaci-torsquantum capacitance
《能源材料与器件（英文）》 2024 (3)
83-98,16
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.
评论