Be2B monolayer as a well-balanced performance anode for lithium-ion batteries with ultrahigh theoretical capacity and low diffusion barrier Article Swipe
Zheng Lu
,
Chun-Sheng Liu
,
Xiao-Juan Ye
·
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.1063/5.0234420
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.1063/5.0234420
Lithium-ion batteries (LIBs) are the most crucial part of energy storage systems. The lower molar weight of anodes can achieve a higher theoretical capacity. We explore the performance of a Be2B monolayer as an anode for LIBs. By first-principles calculations, we reveal that the Be2B monolayer shows excellent tensile strength, which suggests that it can deal with the volume expansion during the adsorption process. Furthermore, the Be2B monolayer can stably adsorb Li atoms with an adsorption energy of −0.98 eV. Moreover, the Be2B monolayer exhibits a low diffusion barrier (0.066 eV), an ultra-high theoretical capacity (3717 mA h g−1), and a moderate open circuit voltage (0.59 V). We also confirm the wettability of the Be2B monolayer in common electrolytes and investigate the adsorption and diffusion properties of Li on Be2B/graphene heterostructure. The introduction of graphene enhances the migration behavior of Li, suggesting the fast charging/discharging capability. Based on the above-mentioned properties, we propose that the Be2B monolayer can act as a high-performance anode material.
Related Topics
Concepts
Monolayer
Anode
Materials science
Adsorption
Lithium (medication)
Graphene
Electrolyte
Diffusion
Chemical engineering
Wetting
Diffusion barrier
Nanotechnology
Chemical physics
Analytical Chemistry (journal)
Chemistry
Composite material
Physical chemistry
Thermodynamics
Layer (electronics)
Organic chemistry
Electrode
Medicine
Endocrinology
Engineering
Physics
Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1063/5.0234420
- OA Status
- hybrid
- Cited By
- 3
- References
- 63
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4405285099
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W4405285099Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1063/5.0234420Digital Object Identifier
- Title
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Be2B monolayer as a well-balanced performance anode for lithium-ion batteries with ultrahigh theoretical capacity and low diffusion barrierWork title
- Type
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articleOpenAlex work type
- Language
-
enPrimary language
- Publication year
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2024Year of publication
- Publication date
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2024-12-11Full publication date if available
- Authors
-
Zheng Lu, Chun-Sheng Liu, Xiao-Juan YeList of authors in order
- Landing page
-
https://doi.org/10.1063/5.0234420Publisher landing page
- Open access
-
YesWhether a free full text is available
- OA status
-
hybridOpen access status per OpenAlex
- OA URL
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https://doi.org/10.1063/5.0234420Direct OA link when available
- Concepts
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Monolayer, Anode, Materials science, Adsorption, Lithium (medication), Graphene, Electrolyte, Diffusion, Chemical engineering, Wetting, Diffusion barrier, Nanotechnology, Chemical physics, Analytical Chemistry (journal), Chemistry, Composite material, Physical chemistry, Thermodynamics, Layer (electronics), Organic chemistry, Electrode, Medicine, Endocrinology, Engineering, PhysicsTop concepts (fields/topics) attached by OpenAlex
- Cited by
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3Total citation count in OpenAlex
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2025: 3Per-year citation counts (last 5 years)
- References (count)
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63Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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