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Metallic B5c8 Monolayer as a Promising Anode Material for Na, K and Ca-Ion Batteries: A First-Principles Study

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Two-dimensional SiP3 monolayer as promising anode with Record-high capacity and fast diffusion for Alkali-ion battery
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Novel two-dimensional C6B4 monolayer as an anode for Li-/Na-ion batteries with high theoretical capacity
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Two-dimensional carbon rich titanium carbide (TiC3) as a high-capacity anode for potassium ion battery
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Theoretical characterization of tolanene: A new 2D sp-sp2 hybridized carbon allotrope
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First-principles studies of the two-dimensional 1H-BeP2 as an electrode material for rechargeable metal ion (Li+, Na+, K+) batteries
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Rational design of Two-Dimensional Buckled-Hexagonal Nb2S2 monolayer as an efficient anode material for Ca-ion Batteries: A First-Principles study
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Application of two-dimensional materials as anodes for rechargeable metal-ion batteries: A comprehensive perspective from density functional theory simulations
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Graphite as anode materials: Fundamental mechanism, recent progress and advances
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Borophene as an anode material for Ca, Mg, Na or Li ion storage: A first-principle study
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Lithium-ion batteries – Current state of the art and anticipated developments
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Modelling high-performing batteries with Mxenes: The case of S-functionalized two-dimensional nitride Mxene electrode
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Topological analysis of electron localisation function: Unlocking the nature of B C chemical bond. Possible existence of multiple bonds B C and B C
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Surface energies, adhesion energies, and exfoliation energies relevant to copper-graphene and copper-graphite systems
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Accuracy of Hybrid Functionals with Non-Self-Consistent Kohn–Sham Orbitals for Predicting the Properties of Semiconductors
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Two-Dimensional BeB2 and MgB2 as High Capacity Dirac Anodes for Li-Ion Batteries: A DFT Study
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Phase Transition Mechanism and Electrochemical Properties of Nanocrystalline MoSe2 as Anode Materials for the High Performance Lithium-Ion Battery
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Stone–Wales Defect Induced Performance Improvement of BC 3 Monolayer for High Capacity Lithium-Ion Rechargeable Battery Anode Applications
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ψ-Graphene: A New Metallic Allotrope of Planar Carbon with Potential Applications as Anode Materials for Lithium-Ion Batteries
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Two-Dimensional Boron-Rich Monolayer B x N as High Capacity for Lithium-Ion Batteries: A First-Principles Study
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Aluminene as a Low-Cost Anode Material for Li- and Na-Ion Batteries
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Penta-graphene: A Promising Anode Material as the Li/Na-Ion Battery with Both Extremely High Theoretical Capacity and Fast Charge/Discharge Rate
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Ti3C2 MXene as a High Capacity Electrode Material for Metal (Li, Na, K, Ca) Ion Batteries
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High Mobility and High Storage Capacity of Lithium in sp–sp2 Hybridized Carbon Network: The Case of Graphyne
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Lithium Storage on Graphdiyne Predicted by DFT Calculations
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Metallic VS 2 Monolayer: A Promising 2D Anode Material for Lithium Ion Batteries
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Theoretical prediction of MoN 2 monolayer as a high capacity electrode material for metal ion batteries
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Hexagonal Ti 2 B 2 monolayer: a promising anode material offering high rate capability for Li-ion and Na-ion batteries
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Prediction of two-dimensional PC 6 as a promising anode material for potassium-ion batteries
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Graphether: a two-dimensional oxocarbon as a direct wide-band-gap semiconductor with high mechanical and electrical performances
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Metallic FeSe monolayer as an anode material for Li and non-Li ion batteries: a DFT study
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Assessing electrochemical properties and diffusion dynamics of metal ions (Na, K, Ca, Mg, Al and Zn) on a C 2 N monolayer as an anode material for non-lithium ion batteries
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Pentagraphyne: a new carbon allotrope with superior electronic and optical property
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Penta-BCN monolayer with high specific capacity and mobility as a compelling anode material for rechargeable batteries
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A two-dimensional metallic SnB monolayer as an anode material for non-lithium-ion batteries
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Prediction of a planar BxP monolayer with inherent metallicity and its potential as an anode material for Na and K-ion batteries: a first-principles study
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Holey penta-hexagonal graphene: a promising anode material for Li-ion batteries
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A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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Theoretical prediction of metallic R12-graphene as a promising anode material for potassium-ion batteries with high ion mobility, high capacity, and excellent electrolyte wettability
inferredcites →https://doi.org/10.1063/5.0195131openalex-snapshot
Theoretical prediction of B5C8 monolayer as a high-performance anode material for lithium-ion batteries
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Two-dimensional BC12 as an ultra-high performance anode material for lithium-ion batteries
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Theoretical prediction on tetragonal Be2B monolayer as a well-balanced performance anode for lithium-ion batteries
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First-principles simulation: ideas, illustrations and the CASTEP code
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First-Principles Study of Monolayer p e n t a - Co S 2 as a Promising Anode Material for Li / Na -ion Batteries
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Special points for Brillouin-zone integrations
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Predicting density functional theory total energies and enthalpies of formation of metal-nonmetal compounds by linear regression
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T-Carbon: A Novel Carbon Allotrope
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Generalized Gradient Approximation Made Simple
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Adhesion Behavior between Multilayer Graphene and Semiconductor Substrates
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