2013
DOI: 10.1016/j.jpowsour.2013.06.057
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First-principles study of alkali metal-graphite intercalation compounds

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Cited by 380 publications
(261 citation statements)
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“…[270][271][272][273] For instance, in a comparative study on alkali metal (Li, Na, and K) intercalation into graphite by Okamoto, [ 272 ] the formation of LiC 6 and KC 8 showed a positive intercalation potential, whereas the formation of either NaC 6 and NaC 8 was found to be thermodynamically unfavorable. Although the underlying reason of this phenomenon remains unclear to date, the reason for unstable stage 1 Na-GIC is attributed to (i) the high redox potential of Na + /Na, resulting in the precipitation of metallic Na before Na intercalation; [ 272 ] (ii) the large elongation of C-C bond lengths in Na-GICs; [ 271 ] and (iii) the low binding energy between the carbon and Na layer. [ 270 ] As the utilization of pristine graphite as an anode for NIBs failed, non-graphitic carbon materials (i.e., hard carbon, soft carbon, and amorphous carbon) have been extensively investigated as alternatives.…”
Section: Carbon Materialsmentioning
confidence: 99%
“…[270][271][272][273] For instance, in a comparative study on alkali metal (Li, Na, and K) intercalation into graphite by Okamoto, [ 272 ] the formation of LiC 6 and KC 8 showed a positive intercalation potential, whereas the formation of either NaC 6 and NaC 8 was found to be thermodynamically unfavorable. Although the underlying reason of this phenomenon remains unclear to date, the reason for unstable stage 1 Na-GIC is attributed to (i) the high redox potential of Na + /Na, resulting in the precipitation of metallic Na before Na intercalation; [ 272 ] (ii) the large elongation of C-C bond lengths in Na-GICs; [ 271 ] and (iii) the low binding energy between the carbon and Na layer. [ 270 ] As the utilization of pristine graphite as an anode for NIBs failed, non-graphitic carbon materials (i.e., hard carbon, soft carbon, and amorphous carbon) have been extensively investigated as alternatives.…”
Section: Carbon Materialsmentioning
confidence: 99%
“…3, the cells start to show good electrochemical performance in terms of cycling stability as well as coulombic efficiency (≥ 90 %, ≥ 85 % for NaClO 4 in PC electrolyte) after 20 discharge-charge cycles. However, during the initial cycles (2)(3)(4)(5)(6)(7)(8)(9)(10)(11)(12)(13)(14)(15)(16)(17)(18)(19)(20), these electrochemical parameters, particularly the capacity retention, were much lower.…”
Section: Electrochemical Performance Of Sgl/cu Electrodementioning
confidence: 99%
“…Moreover, the sodium graphite intercalation compounds (NaC x with x = 36, 16,12,8,6) are unstable [9]. In fact, they do not exist under moderate conditions, which was reported to be a consequence of the clash between the graphite structure (graphite is stressed when some Na + ions intercalate into it) and the size of the Na + ion (its ionic radius is approximately 0.3 Å larger than that of Li + ion, this difference leading to changes in thermodynamic and kinetic properties) [9,10]. Therefore, efforts have been focused on the identification of other host carbon materials to achieve a successful reversible intercalation/insertion of the larger Na + anions.…”
Section: Introductionmentioning
confidence: 99%
“…For example, intercalation compounds of the formula NaC 64 were obtained in low current density experiments for electrochemical intercalation of Na + in graphite [14], amounting to a reversible capacity ~35 mA h g -1 , which contrasts with the stage-I graphite intercalation compound, LiC 6 , attained for Li + ions (theoretical capacity of 372 mA h g -1 ). This limitation is partly due to the ionic radius of Na + , which is ~0.3 Å larger than Li + , as well as the stressed induced in the graphite structure when Na + ions are intercalated [15].…”
Section: Introductionmentioning
confidence: 99%