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Unveiling the catal...
Unveiling the catalytic potential of two-dimensional boron nitride in lithium-sulfur batteries
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- Khossossi, Nabil (author)
- Delft Univ Technol, Fac Mech Maritime & Mat Engn, Dept Mat Sci & Engn, Mekelweg 2, NL-2628 CD Delft, Netherlands.
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- Singh, Deobrat (author)
- Uppsala universitet,Materialteori,Condensed Matter Theory Group
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- Essaoudi, Ismail (author)
- Moulay Ismail Univ, Fac Sci, Dept Phys, Lab Mat Phys & Syst Modeling, Meknes, Morocco.
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- Ahuja, Rajeev, 1965- (author)
- Uppsala universitet,Materialteori,Condensed Matter Theory Group
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- Ainane, Abdelmajid (author)
- Moulay Ismail Univ, Fac Sci, Dept Phys, Lab Mat Phys & Syst Modeling, Meknes, Morocco.;Indian Inst Technol Ropar, Dept Phys, Rupnagar 140001, Punjab, India.
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Delft Univ Technol, Fac Mech Maritime & Mat Engn, Dept Mat Sci & Engn, Mekelweg 2, NL-2628 CD Delft, Netherlands Materialteori (creator_code:org_t)
- Elsevier, 2024
- 2024
- English.
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In: Chemical Engineering Journal. - : Elsevier. - 1385-8947 .- 1873-3212. ; 479
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https://uu.diva-port... (primary) (Raw object)
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Abstract
Subject headings
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- Lithium-sulfur (Li-S) batteries, renowned for their potential high energy density, have attracted attention due to their use of earth-abundant elements. However, a significant challenge lies in developing suitable materials for both lithium-based anodes, which are less prone to lithium dendrite formation, and sulfur-based cathodes. This obstacle has hindered their widespread commercial viability. In this study, we present a novel sulfur host material in the form of a two-dimensional semiconductor boron nitride framework, specifically the 2D orthorhombic diboron dinitride (o-B2N2). The inherent conductivity of o-B2N2 mitigates the insulating nature often observed in sulfur-based electrodes. Notably, the o-B2N2 surface demonstrates a high binding affinity for long-chain Li-polysulfides, leading to a significant reduction in their dissolution into the DME/DOL electrolytes. Furthermore, the preferential deposition of Li2S on the o-B2N2 surface expedites the kinetics of the lithium polysulfide redox reactions. Additionally, our investigations have revealed a catalytic mechanism on the o-B2N2 surface, significantly reducing the free energy barriers for various sulfur reduction reactions. Consequently, the integration of o-B2N2 as a host cathode material for Li-S batteries holds great promise in suppressing the shuttle effect of lithium polysulfides and ultimately enhancing the overall battery performance. This represents a practical advancement for the application of Li-S batteries.
Subject headings
- NATURVETENSKAP -- Kemi -- Materialkemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Materials Chemistry (hsv//eng)
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
- NATURVETENSKAP -- Kemi -- Annan kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Other Chemistry Topics (hsv//eng)
Keyword
- Electrocatalytic properties
- Shuttle effect
- Lithium polysulfide
- Organic electrolyte
- First-principles calculations
Publication and Content Type
- ref (subject category)
- art (subject category)
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