Are MXenes promising anode materials for Li ion batteries? Computational studies on electronic properties and Li storage capability of Ti3C2 and Ti3C2X2 (X = F, OH) monolayer.
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Summary
The exceptional properties, including good electronic conductivity, fast Li diffusion, low operating voltage, and high theoretical Li storage capacity, make Ti(3)C(2) MXene a promising anode material for Li ion batteries.
- Type
- article
- Published
- 2012-09-28
- Cited by
- 1,983
- References
- 66
- OpenAlex
- https://openalex.org/W2030460019
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:415148
Keywords
MXenes, Monolayer, Anode, Chemistry, Density functional theory
References
- Electronic structure of Ti3SiC2
- Abnormal thermal shock behavior of Ti_3SiC_2 and Ti_3AlC_2
- A Non-Aqueous Asymmetric Cell with a Ti2C-Based Two-Dimensional Negative Electrode
- Effect of diffusion on lithium intercalation in titanium dioxide.
- Projector augmented-wave method.
- Recent Progress in Theoretical Prediction, Preparation, and Characterization of Layered Ternary Transition-Metal Carbides
- Two-Dimensional Nanosheets Produced by Liquid Exfoliation of Layered Materials
- Soluble, Exfoliated Hexagonal Boron Nitride Nanosheets
- Two phase morphology limits lithium diffusion in TiO(2)(anatase): a (7)Li MAS NMR study.
- Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations
- Generalized Gradient Approximation Made Simple.
- Two-dimensional transition metal carbides.
- Tuning electronic and magnetic properties of wurtzite ZnO nanosheets by surface hydrogenation.
- "White graphenes": boron nitride nanoribbons via boron nitride nanotube unwrapping.
- The MN+1AXN phases: A new class of solids
- Atomic structure, comparative stability and electronic properties of hydroxylated Ti2C and Ti3C2 nanotubes
- Growth and characterization of MAX-phase thin films
- Ab initio calculation of the intercalation voltage of lithium-transition-metal oxide electrodes for rechargeable batteries
- How Do Surface and Edge Effects Alter the Electronic Properties of GaN Nanoribbons
- Structure of chemically derived mono- and few-atomic-layer boron nitride sheets
Cited by
- Two-dimensional molybdenum carbides: potential thermoelectric materials of the MXene family.
- Two-dimensional transition-metal oxide monolayers as cathode materials for Li and Na ion batteries.
- Transition Metal Carbide Complex Architectures for Energy-Related Applications.
- Electrocatalytic and Optoelectronic Characteristics of the Two-Dimensional Titanium Nitride Ti4N3Tx MXene.
- One-step synthesis of few-layer niobium carbide MXene as a promising anode material for high-rate lithium ion batteries.
- MBene (MnB): a new type of 2D metallic ferromagnet with high Curie temperature.
- MXene (Ti3C2Tx)-Embedded Nanocomposite Hydrogels for Biomedical Applications: A Review
- Nanostructured Materials and their Applications
- Two-dimensional titanium carbide electrode with large mass loading for supercapacitor
- OH-terminated two-dimensional transition metal carbides and nitrides as ultralow work function materials
- Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes).
- Y-doped Li8ZrO6: A Li-Ion Battery Cathode Material with High Capacity.
- Theoretical understanding of magnetic and electronic structures of Ti 3 C 2 monolayer and its derivatives
- Phase stability and elastic properties of graphene-like Tan+1Cn (n = 1, 2, or 3) from first-principles calculations
- Dirac points with giant spin-orbit splitting in the electronic structure of two-dimensional transition-metal carbides
- First principles study on silicon nanostructures as potential anode materials for Li-ion batteries
- Two-dimensional titanium carbonitrides and their hydroxylated derivatives: Structural, electronic properties and stability of MXenes Ti3C2−xNx(OH)2 from DFTB calculations
- The potential application of phosphorene as an anode material in Li-ion batteries
- Atomically Resolved Structural and Chemical Investigation of Single MXene Sheets.
- Surface group modification and carrier transport properties of layered transition metal carbides (Ti2CT(x), T: -OH, -F and -O).
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