Electro-Chemo-Mechanical Properties of 2D Materials for Energy Storage: Computational Frontiers Article Swipe
Joy Datta
,
Dibakar Datta
·
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.1007/s41745-025-00485-5
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.1007/s41745-025-00485-5
Two-dimensional materials (2DM) and their heterostructures (2D + nD, where n = 0, 1, 2, 3) hold significant promise for electrochemical energy storage systems (EESS), such as batteries. 2DM can act as van der Waals (vdW) slick interfaces between conventional active materials (e.g., silicon) and current collectors, enhancing interfacial adhesion and mitigating stress-induced fractures. They can also serve as alternatives to traditional polymer binders (e.g., MXenes), highlighting the importance of interfacial mechanics between 2DM and active materials. During charge/discharge cycles, intercalation and deintercalation processes substantially affect the mechanical behavior of 2DM used as binders, collectors, or electrodes. For example, porous graphene networks have demonstrated capacities up to five times greater than traditional graphite anodes. However, modeling 2DM in EESS remains challenging due to the complex coupling between electrochemistry and mechanics. Defective graphene, for instance, promotes strong adatom adsorption (e.g., Li⁺), which can hinder desorption during discharge, thereby influencing mechanical properties. Despite the promise of 2DM, most current studies fall short in capturing these critical chemo-mechanical interactions. This perspective provides a comprehensive overview of recent advances in understanding the mechanical behavior of 2DM in EESS. It identifies key modeling challenges and outlines future research directions. Multiscale modeling approaches—including atomistic and molecular simulations, continuum mechanics, machine learning, and generative artificial intelligence—are discussed. This work aims to inspire deeper exploration of the chemo-mechanics of 2DM and offer valuable guidance for experimental design and optimization of 2DM-based EESS for practical applications.
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- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1007/s41745-025-00485-5
- https://link.springer.com/content/pdf/10.1007/s41745-025-00485-5.pdf
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- OpenAlex ID
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All OpenAlex metadata
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https://openalex.org/W4413426416Canonical identifier for this work in OpenAlex
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https://doi.org/10.1007/s41745-025-00485-5Digital Object Identifier
- Title
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Electro-Chemo-Mechanical Properties of 2D Materials for Energy Storage: Computational FrontiersWork title
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articleOpenAlex work type
- Language
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enPrimary language
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2025Year of publication
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2025-08-22Full publication date if available
- Authors
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Joy Datta, Dibakar DattaList of authors in order
- Landing page
-
https://doi.org/10.1007/s41745-025-00485-5Publisher landing page
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https://link.springer.com/content/pdf/10.1007/s41745-025-00485-5.pdfDirect link to full text PDF
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YesWhether a free full text is available
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hybridOpen access status per OpenAlex
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https://link.springer.com/content/pdf/10.1007/s41745-025-00485-5.pdfDirect OA link when available
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Energy storage, Engineering physics, Mechanical engineering, Materials science, Computer science, Engineering, Physics, Thermodynamics, Power (physics)Top concepts (fields/topics) attached by OpenAlex
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0Total citation count in OpenAlex
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| abstract_inverted_index.complex | 125 |
| abstract_inverted_index.current | 46, 157 |
| abstract_inverted_index.cycles, | 80 |
| abstract_inverted_index.greater | 110 |
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| abstract_inverted_index.machine | 204 |
| abstract_inverted_index.polymer | 63 |
| abstract_inverted_index.promise | 19, 153 |
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| abstract_inverted_index.studies | 158 |
| abstract_inverted_index.systems | 24 |
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| abstract_inverted_index.However, | 115 |
| abstract_inverted_index.MXenes), | 66 |
| abstract_inverted_index.adhesion | 50 |
| abstract_inverted_index.advances | 175 |
| abstract_inverted_index.behavior | 89, 180 |
| abstract_inverted_index.binders, | 94 |
| abstract_inverted_index.coupling | 126 |
| abstract_inverted_index.critical | 164 |
| abstract_inverted_index.example, | 99 |
| abstract_inverted_index.graphene | 101 |
| abstract_inverted_index.graphite | 113 |
| abstract_inverted_index.guidance | 226 |
| abstract_inverted_index.modeling | 116, 188, 196 |
| abstract_inverted_index.networks | 102 |
| abstract_inverted_index.outlines | 191 |
| abstract_inverted_index.overview | 172 |
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| abstract_inverted_index.provides | 169 |
| abstract_inverted_index.research | 193 |
| abstract_inverted_index.silicon) | 44 |
| abstract_inverted_index.valuable | 225 |
| abstract_inverted_index.2DM-based | 233 |
| abstract_inverted_index.Defective | 131 |
| abstract_inverted_index.atomistic | 198 |
| abstract_inverted_index.capturing | 162 |
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| abstract_inverted_index.enhancing | 48 |
| abstract_inverted_index.graphene, | 132 |
| abstract_inverted_index.instance, | 134 |
| abstract_inverted_index.learning, | 205 |
| abstract_inverted_index.materials | 2, 42 |
| abstract_inverted_index.mechanics | 72 |
| abstract_inverted_index.molecular | 200 |
| abstract_inverted_index.practical | 236 |
| abstract_inverted_index.processes | 84 |
| abstract_inverted_index.Multiscale | 195 |
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| abstract_inverted_index.artificial | 208 |
| abstract_inverted_index.batteries. | 28 |
| abstract_inverted_index.capacities | 105 |
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| abstract_inverted_index.desorption | 144 |
| abstract_inverted_index.discharge, | 146 |
| abstract_inverted_index.discussed. | 210 |
| abstract_inverted_index.fractures. | 54 |
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| abstract_inverted_index.importance | 69 |
| abstract_inverted_index.interfaces | 38 |
| abstract_inverted_index.materials. | 77 |
| abstract_inverted_index.mechanical | 88, 149, 179 |
| abstract_inverted_index.mechanics, | 203 |
| abstract_inverted_index.mechanics. | 130 |
| abstract_inverted_index.mitigating | 52 |
| abstract_inverted_index.challenging | 121 |
| abstract_inverted_index.collectors, | 47, 95 |
| abstract_inverted_index.directions. | 194 |
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| abstract_inverted_index.perspective | 168 |
| abstract_inverted_index.properties. | 150 |
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| abstract_inverted_index.alternatives | 60 |
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| abstract_inverted_index.optimization | 231 |
| abstract_inverted_index.simulations, | 201 |
| abstract_inverted_index.applications. | 237 |
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| abstract_inverted_index.Two-dimensional | 1 |
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| abstract_inverted_index.electrochemical | 21 |
| abstract_inverted_index.charge/discharge | 79 |
| abstract_inverted_index.chemo-mechanical | 165 |
| abstract_inverted_index.electrochemistry | 128 |
| abstract_inverted_index.heterostructures | 6 |
| abstract_inverted_index.intelligence—are | 209 |
| abstract_inverted_index.approaches—including | 197 |
| cited_by_percentile_year | |
| countries_distinct_count | 0 |
| institutions_distinct_count | 2 |
| citation_normalized_percentile.value | 0.34104758 |
| citation_normalized_percentile.is_in_top_1_percent | False |
| citation_normalized_percentile.is_in_top_10_percent | False |