First-principles studies on doped graphene as anode materials in lithium-ion batteries

Wu, Dihua; Li, Y. F.; Zhou, Zhen

doi:10.1007/s00214-011-0961-5

Cited by 100 publications

(71 citation statements)

References 43 publications

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“…Secondly, the pyridinic nitrogen atoms could enhance the reversible specific capacities of the nitrogen-doped graphene sheets electrode compared with the graphene sheets electrode [20,26,42]. Thirdly, high nitrogen-doping level in nitrogen-doped graphene sheets could be beneficial to the high reversible capacity [12,25,42].…”

Section: Electrochemical Properties Of the Nitrogen-doped Graphene Shmentioning

confidence: 99%

Superhigh capacity and rate capability of high-level nitrogen-doped graphene sheets as anode materials for lithium-ion batteries

Cai

Lian

Zhu

et al. 2013

Electrochimica Acta

115

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Section: Electrochemical Properties Of the Nitrogen-doped Graphene Shmentioning

confidence: 99%

Superhigh capacity and rate capability of high-level nitrogen-doped graphene sheets as anode materials for lithium-ion batteries

Cai

Lian

Zhu

et al. 2013

Electrochimica Acta

115

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“…Alternatively, Wang et al found that doping boron on graphene can be an effective method to enhance the lithium storage capacity, in which every boron atom can absorb 6 Li ions [15]. Wu et al followed this line to investigate Li adsorption on nitrogen doped and boron doped graphenes [16], while Zhou et al study the Li adsorption on nitrogen doped and boron doped CNTs [17]. Liu et al also explored the feasibility of lithium storage on graphene and Its derivatives and they reported that certain structural defects in graphene can bind Li stably, yet a more efficacious approach is through substitution doping with boron (B) [18].…”

Section: Introductionmentioning

confidence: 99%

Grain boundary and curvature enhanced lithium adsorption on carbon

Pang

Shi

Wei

et al. 2016

Carbon

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a b s t r a c tWhile the speculation that graphene may owe double or even higher capacity of lithium adsorption than graphite does remains speculative, there is growing evidence that defects and edges may promote lithium adsorption on graphene and other nanostructured carbon. Here we report a first-principles study on how grain boundary defects in graphene may influence the adsorption of lithium. The adsorption energy for Li atoms trapping in 5-, 7-, and 8-rings is much lower than the counter-part of Li atoms and pristine graphene. Such defective graphene could adsorb more Li atoms, and may reach the speculated ratio of 1:1 for C-Li adsorption. In a contrast study of lithium on fullerenes of different size, we find that the adsorption energy decreases with increasing size of fullerenes, but does not approach the energy when Li atoms adsorb on flat graphene. The energy in carbon nanotubes, however, converges to the adsorption energy between Li atoms and flat graphene if the radius of carbon nanotubes is sufficiently large. It hence indicates that while curvature plays a role in the enhanced adsorption in fullerenes, the twelve 5 rings in a fullerene ball is the primary factor accounting for the enhanced lithium adsorption.

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“…Metals, (lithium containing) metal oxide and carbon materials are widely investigated as LIB electrode materials [32,33]. Graphene or graphene-based materials were investigated as electrode materials in recent years [45,46]. The lithium storage properties of graphene were investigated by Yoo et al [47], and it shows higher capacity (about 540 mA h g 1 ) than that of graphite (about 372 mA h g 1 ).…”

Section: Lithium Ion Batterymentioning

confidence: 99%

Graphene-based hybrid materials and their applications in energy storage and conversion

2012

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Graphene attracts more and more scientists and researchers owing to its superior electronic, thermal, and mechanical properties. For material scientists, graphene is a kind of versatile building blocks, and considerable progress has been made in recent years. Graphene-based hybrid materials have been prepared by incorporating inorganic species and/or cross-linking of organic species through covalent and/or noncovalent interactions. The graphene-based hybrid materials show improved or excellent performance in various fields. In this review, we summarize the synthesis of graphene and graphene-based hybrid materials, and their applications in energy storage and conversion. graphene, hybrid material, energy storage, energy conversion Citation:Zhou D, Cui Y, Han B H. Graphene-based hybrid materials and their applications in energy storage and conversion.

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First-principles studies on doped graphene as anode materials in lithium-ion batteries

Cited by 100 publications

References 43 publications

Superhigh capacity and rate capability of high-level nitrogen-doped graphene sheets as anode materials for lithium-ion batteries

Superhigh capacity and rate capability of high-level nitrogen-doped graphene sheets as anode materials for lithium-ion batteries

Grain boundary and curvature enhanced lithium adsorption on carbon

Graphene-based hybrid materials and their applications in energy storage and conversion

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