Alternative Natrium

Adelhelm, Philipp

doi:10.1002/nadc.201490415

Cited by 4 publications

(3 citation statements)

References 37 publications

(24 reference statements)

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“…We find that among the investigated functionals only revPBE‐vdW can qualitatively reproduce a step‐function behavior of the experimental voltage profile of Li intercalation into graphite (see Fig. b).…”

Section: Resultsmentioning

confidence: 91%

“…The sequence of plateaus that is measured for the Li x C 6 potential as a function of lithium concentration indicates the formation of the thermodynamically stable Li‐GICs for given lithium concentrations . The fully lithiated graphite exhibits a composition of LiC 6, whereas for smaller Li concentrations other thermodynamically stable Li‐GICs exist, for example, LiC 12 , LiC 18 , and so forth.…”

Section: Introductionmentioning

confidence: 93%

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Comparative study of density functionals for the description of lithium‐graphite intercalation compounds

2019

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The lack of description of van der Waals interactions in layered materials such as graphite and binary graphite intercalation compounds remains a main drawback of conventional density functional theory. Two fundamentally different approaches to overcome this issue are the employment of semiempirical dispersion correction scheme such as Grimme dispersion correction or nonlocal density functionals. We carefully compare these two approaches for the description of the geometric structure and the thermodynamic stability of pure graphite and Li-GICs at different lithium concentrations and stages. Based on the computed formation energies, we also evaluate the lithium-graphite intercalation potential. We find that PBE-D3(BJ) accurately reproduces the lattice parameters and the interlayer binding energy of graphite, although it underestimates the thermodynamic stability of stage-II Li-GICs mainly due to overbinding of carbon atoms in pure graphite. The nonlocal van der Waals functionals optB88-vdW, optB86b-vdW, and revPBE-vdW show a good agreement with experiments concerning stability of Li-GICs of different stages, although they overestimate the van der Waals interactions in graphite. The experimentally determined decreasing step-function behavior of Li-graphite intercalation potential can be qualitatively reproduced only by employing the revPBE van der Waals functional, whereas the other density functionals fail in the description.

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Section: Resultsmentioning

confidence: 91%

Section: Introductionmentioning

confidence: 93%

Comparative study of density functionals for the description of lithium‐graphite intercalation compounds

2019

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“… a) Intercalation of sodium and lithium into graphite (1st cycle) . In conventional electrolytes, only lithium intercalates, forming the GIC LiC 6 .…”

Section: Materials For the Negative Electrodementioning

confidence: 99%

From Lithium‐Ion to Sodium‐Ion Batteries: Advantages, Challenges, and Surprises

et al. 2017

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Mobile and stationary energy storage by rechargeable batteries is a topic of broad societal and economical relevance. Lithium-ion battery (LIB) technology is at the forefront of the development, but a massively growing market will likely put severe pressure on resources and supply chains. Recently, sodium-ion batteries (SIBs) have been reconsidered with the aim of providing a lower-cost alternative that is less susceptible to resource and supply risks. On paper, the replacement of lithium by sodium in a battery seems straightforward at first, but unpredictable surprises are often found in practice. What happens when replacing lithium by sodium in electrode reactions? This review provides a state-of-the art overview on the redox behavior of materials when used as electrodes in lithium-ion and sodium-ion batteries, respectively. Advantages and challenges related to the use of sodium instead of lithium are discussed.

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Von Lithium‐ zu Natriumionenbatterien: Vorteile, Herausforderungen und Überraschendes

et al. 2017

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Die mobile und stationäre Energiespeicherung durch wiederaufladbare Batterien ist ein Thema von breiter gesellschaftlicher und ökonomischer Bedeutung. Die wichtigste Technologie in diesem Bereich ist die Lithiumionenbatterie (LIB), jedoch muss man davon ausgehen, dass ein massiv wachsender LIB‐Markt ernsten Druck auf Ressourcen und Lieferketten ausüben wird. Seit kurzem richtet sich die Aufmerksamkeit daher auch wieder auf die Natriumionenbatterie (SIB), die eine preisgünstige Alternative darstellen könnte, die weniger anfällig für Ressourcen‐ und Versorgungsrisiken ist. Auf dem Papier scheint der Austausch von Lithium durch Natrium in einer Batterie unkompliziert, jedoch erlebt man in der Praxis oft unvorhersehbare Überraschungen. Was geschieht, wenn in Elektrodenreaktionen Lithium durch Natrium ersetzt wird? Dieser Aufsatz bietet einen aktuellen Überblick über das Redoxverhalten von Materialien bei ihrer Verwendung als Elektroden in LIBs bzw. SIBs. Die Vorteile und Herausforderungen im Zusammenhang mit der Verwendung von Natrium anstelle von Lithium werden diskutiert.

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Alternative Natrium

Cited by 4 publications

References 37 publications

Comparative study of density functionals for the description of lithium‐graphite intercalation compounds

Comparative study of density functionals for the description of lithium‐graphite intercalation compounds

From Lithium‐Ion to Sodium‐Ion Batteries: Advantages, Challenges, and Surprises

Von Lithium‐ zu Natriumionenbatterien: Vorteile, Herausforderungen und Überraschendes

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