Defective Graphene and Graphene Allotropes as High-Capacity Anode Materials for Mg Ion Batteries

被引:85
作者
Er, Dequan [1 ]
Detsi, Eric [1 ]
Kumar, Hemant [1 ]
Shenoy, Vivek B. [1 ]
机构
[1] Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA
来源
ACS ENERGY LETTERS | 2016年 / 1卷 / 03期
基金
美国国家科学基金会;
关键词
RECHARGEABLE MAGNESIUM BATTERIES; ELECTRONIC-PROPERTIES; AB-INITIO; CARBON; NA; PLANAR; METAL; PREDICTION; STORAGE; ISSUES;
D O I
10.1021/acsenergylett.6b00308
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Although rechargeable Mg ion batteries have recently received renewed interest as a promising alternative to Li ion batteries, the Mg metal used for anodes in state-of-the-art Mg ion batteries is not compatible with conventional battery electrolyte solvents. On the other hand, graphite electrode materials function well with common battery electrolyte solvents, but Mg intercalation into graphite is very difficult. In the case of two-dimensional (2D) carbon based materials, pristine graphene, the most well-studied 2D material, is known to have no capacity for Li or Mg. Here we demonstrate the potential of defective 2D carbon-based structures to be used as high-capacity anode materials for Mg ion batteries. Adsorption of divalent Mg ions on defective graphene and graphene allotropes is predicted by first-principles density functional theory. Our results enhanced Mg adsorption on both defective graphene and graphene allotropes. Moreover, we show that Mg storage capacity can be improved by increasing the defect concentration or changing the local arrangement of carbon rings. A Mg storage capacity as high as 1042 mAh/g can be achieved in graphene with 25% divacancy defects. These new insights, together with the fact that carbon-based materials are very compatible with a wide range of battery electrolyte solvents, will pave the way for developing carbon-based anode materials for practical Mg ion batteries.
引用
收藏
页码:638 / 645
页数:8
相关论文
共 73 条
[1]   Surface characterization of electrodes from high power lithium-ion batteries [J].
Andersson, AM ;
Abraham, DP ;
Haasch, R ;
MacLaren, S ;
Liu, J ;
Amine, K .
JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2002, 149 (10) :A1358-A1369
[2]   Embedded ribbons of graphene allotropes: an extended defect perspective [J].
Appelhans, David J. ;
Carr, Lincoln D. ;
Lusk, Mark T. .
NEW JOURNAL OF PHYSICS, 2010, 12
[3]   Prototype systems for rechargeable magnesium batteries [J].
Aurbach, D ;
Lu, Z ;
Schechter, A ;
Gofer, Y ;
Gizbar, H ;
Turgeman, R ;
Cohen, Y ;
Moshkovich, M ;
Levi, E .
NATURE, 2000, 407 (6805) :724-727
[4]   Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides [J].
Aydinol, MK ;
Kohan, AF ;
Ceder, G ;
Cho, K ;
Joannopoulos, J .
PHYSICAL REVIEW B, 1997, 56 (03) :1354-1365
[5]   First-principles prediction of insertion potentials in Li-Mn oxides for secondary Li batteries [J].
Aydinol, MK ;
Ceder, G .
JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 1997, 144 (11) :3832-3835
[6]   Anodic performance of black phosphorus in magnesium-ion batteries: the significance of Mg-P bond-synergy [J].
Banerjee, Swastika ;
Pati, Swapan K. .
CHEMICAL COMMUNICATIONS, 2016, 52 (54) :8381-8384
[7]  
Banhart F, 2011, ACS NANO, V5, P26, DOI [10.1021/nn102598m, 10.1016/B978-0-08-102053-1.00005-3]
[8]   STRUCTURE-PROPERTY PREDICTIONS FOR NEW PLANAR FORMS OF CARBON - LAYERED PHASES CONTAINING SP2 AND SP ATOMS [J].
BAUGHMAN, RH ;
ECKHARDT, H ;
KERTESZ, M .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (11) :6687-6699
[9]  
Besenhard JO, 2002, CHEMPHYSCHEM, V3, P155, DOI 10.1002/1439-7641(20020215)3:2<155::AID-CPHC155>3.0.CO
[10]  
2-S