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Thermodynamics and ...
Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for Li/Na-ion batteries
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- Khossossi, Nabil (författare)
- Uppsala universitet,Materialteori,Moulay Ismail Univ, LP2MS, Unite Associee CNRST URAC 08, Fac Sci,Dept Phys, BP 11201, Meknes, Morocco.,Condensed Matter Theory Group
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- Banerjee, Amitava (författare)
- Uppsala universitet,Materialteori,Condensed Matter Theory Group
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- Essaoudi, I. (författare)
- Uppsala universitet,Materialteori,Moulay Ismail Univ, LP2MS, Unite Associee CNRST URAC 08, Fac Sci,Dept Phys, BP 11201, Meknes, Morocco.,Condensed Matter Theory Group
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- Ainane, Abdelmajid (författare)
- Uppsala universitet,Materialteori,Moulay Ismail Univ, LP2MS, Unite Associee CNRST URAC 08, Fac Sci,Dept Phys, BP 11201, Meknes, Morocco.;Max Planck Inst Phys Complexer Syst, NothnitzerStr 38, D-01187 Dresden, Germany.,Condensed Matter Theory Group
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- Jena, P. (författare)
- Virginia Commonwealth Univ, Dept Phys, Richmond, VA 23284 USA.
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- Ahuja, Rajeev, 1965- (författare)
- Uppsala universitet,KTH,Tillämpad materialfysik,Materialteori,Royal Inst Technol KTH, Dept Mat & Engn, Appl Mat Phys, S-10044 Stockholm, Sweden.,Condensed Matter Theory Group
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(creator_code:org_t)
- Elsevier B.V. 2021
- 2021
- Engelska.
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Ingår i: Journal of Power Sources. - : Elsevier B.V.. - 0378-7753 .- 1873-2755. ; 485
- Relaterad länk:
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Abstract
Ämnesord
Stäng
- Development of high capacity anode materials is one of the essential strategies for next-generation high-performance Li/Na-ion batteries. Rational design, using density functional theory, can expedite the discovery of these anode materials. Here, we propose a new anode material, germanium carbide, g-GeC, for Li/Na-ion batteries. Our results show that g-GeC possesses both benefits of the high stability of graphene and the strong interaction between Li/Na and germanene. The single-layer germanium carbide, g-GeC, can be lithiated/sodiated on both sides yielding Li2GeC and Na2GeC with a storage capacity as high as 633 mA h/g. Besides germagraphene's 2D honeycomb structure, fast charge transfer, and high (Li/Na)-ion diffusion and negligible volume change further enhance the anode performance. These findings provide valuable insights into the electronic characteristics of newly predicted 2D g-GeC nanomaterial as a promising anode for (Li/Na)-ion batteries.
Ämnesord
- 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)
Nyckelord
- 2D materials
- Electrochemical energy storage
- Germanium carbide (GeC)
- Li/Na-ion batteries
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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