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Electrochemical Properties and Theoretical Capacity for Sodium Storage in Hard Carbon: Insights from First Principles Calculations

https://doi.org/10.1021/acs.chemmater.8b01390
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Electrode Materials for Rechargeable Sodium‐Ion Batteries: Potential Alternatives to Current Lithium‐Ion Batteries
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Correlation Between Microstructure and Na Storage Behavior in Hard Carbon
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Hard Carbon Anodes for Na‐Ion Batteries: Toward a Practical Use
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Study of the Most Relevant Aspects Related to Hard Carbons as Anode Materials for Na‐ion Batteries, Compared with Li‐ion Systems
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Effect of the damping function in dispersion corrected density functional theory
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Sodium adsorption and intercalation in bilayer graphene from density functional theory calculations
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Electrochemical intercalation of sodium in graphite
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A computational study of Na behavior on graphene
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A simple model describes the PDF of a non-graphitizing carbon
inferredcites →https://doi.org/10.1016/j.carbon.2015.09.091openalex-snapshot
A review of carbon materials and their composites with alloy metals for sodium ion battery anodes
inferredcites →https://doi.org/10.1016/j.carbon.2017.01.024openalex-snapshot
Adsorption and diffusion of sodium on graphene with grain boundaries
inferredcites →https://doi.org/10.1016/j.carbon.2018.01.057openalex-snapshot
In situ nitrogen-doped helical mesoporous carbonaceous nanotubes for superior-high lithium anodic performance
inferredcites →https://doi.org/10.1016/j.carbon.2018.04.034openalex-snapshot
Hydrogenated defective graphene as an anode material for sodium and calcium ion batteries: A density functional theory study
inferredcites →https://doi.org/10.1016/j.commatsci.2014.04.010openalex-snapshot
Comparative computational study of the energetics of Li, Na, and Mg storage in amorphous and crystalline silicon
inferredcites →https://doi.org/10.1016/j.electacta.2017.07.186openalex-snapshot
Functionalized graphene for sodium battery applications: the DFT insights
inferredcites →https://doi.org/10.1016/j.jechem.2016.04.016openalex-snapshot
Hard carbon derived from cellulose as anode for sodium ion batteries: Dependence of electrochemical properties on structure
inferredcites →https://doi.org/10.1016/j.jpowsour.2013.06.057openalex-snapshot
First-principles study of alkali metal-graphite intercalation compounds
inferredcites →https://doi.org/10.1016/j.mtchem.2018.10.006openalex-snapshot
A review on density functional theory–based study on two-dimensional materials used in batteries
inferredcites →https://doi.org/10.1016/j.susc.2017.01.004openalex-snapshot
Adsorption, intercalation and diffusion of Na on defective bilayer graphene: a computational study
inferredcites →https://doi.org/10.1021/acs.chemmater.6b05474openalex-snapshot
Insights on the Mechanism of Na-Ion Storage in Soft Carbon Anode
inferredcites →https://doi.org/10.1021/acs.jpcc.5b03407openalex-snapshot
Amorphous (Glassy) Carbon, a Promising Material for Sodium Ion Battery Anodes: a Combined First-Principles and Experimental Study
inferredcites →https://doi.org/10.1021/acs.nanolett.5b01969openalex-snapshot
New Mechanistic Insights on Na-Ion Storage in Nongraphitizable Carbon
inferredcites →https://doi.org/10.1021/acsami.6b12727openalex-snapshot
Penta-graphene: A Promising Anode Material as the Li/Na-Ion Battery with Both Extremely High Theoretical Capacity and Fast Charge/Discharge Rate
inferredcites →https://doi.org/10.1021/acsami.7b02972openalex-snapshot
Adsorption and Formation of Small Na Clusters on Pristine and Double-Vacancy Graphene for Anodes of Na-Ion Batteries
inferredcites →https://doi.org/10.1021/acscentsci.5b00329openalex-snapshot
Electrochemically Expandable Soft Carbon as Anodes for Na-Ion Batteries
inferredcites →https://doi.org/10.1021/acsenergylett.6b00172openalex-snapshot
High Capacity of Hard Carbon Anode in Na-Ion Batteries Unlocked by PO x Doping
inferredcites →https://doi.org/10.1021/am401548copenalex-snapshot
Adsorption of Single Li and the Formation of Small Li Clusters on Graphene for the Anode of Lithium-Ion Batteries
inferredcites →https://doi.org/10.1021/am404788eopenalex-snapshot
Defective Graphene as a High-Capacity Anode Material for Na- and Ca-Ion Batteries
inferredcites →https://doi.org/10.1021/jp4063753openalex-snapshot
Density Functional Theory Calculations of Alkali Metal (Li, Na, and K) Graphite Intercalation Compounds
inferredcites →https://doi.org/10.1021/nn404640copenalex-snapshot
Carbon Nanosheet Frameworks Derived from Peat Moss as High Performance Sodium Ion Battery Anodes
inferredcites →https://doi.org/10.1021/nn502045yopenalex-snapshot
High-Density Sodium and Lithium Ion Battery Anodes from Banana Peels
inferredcites →https://doi.org/10.1038/nnano.2013.46openalex-snapshot
Raman spectroscopy as a versatile tool for studying the properties of graphene
inferredcites →https://doi.org/10.1039/c2ee21892eopenalex-snapshot
Electrical energy storage for transportation—approaching the limits of, and going beyond, lithium-ion batteries
inferredcites →https://doi.org/10.1039/c3ee40847gopenalex-snapshot
Room-temperature stationary sodium-ion batteries for large-scale electric energy storage
inferredcites →https://doi.org/10.1039/c3ra47187jopenalex-snapshot
Van der Waals density functional study of the energetics of alkali metal intercalation in graphite
inferredcites →https://doi.org/10.1039/c4ra15010dopenalex-snapshot
N-substituted defective graphene sheets: promising electrode materials for Na-ion batteries
inferredcites →https://doi.org/10.1039/c4ra15529gopenalex-snapshot
Diffusion of alkali metals in the first stage graphite intercalation compounds by vdW-DFT calculations
inferredcites →https://doi.org/10.1039/c4ta04995kopenalex-snapshot
Origin of non-SEI related coulombic efficiency loss in carbons tested against Na and Li
inferredcites →https://doi.org/10.1039/c4ta06467dopenalex-snapshot
Recent developments in electrode materials for sodium-ion batteries
inferredcites →https://doi.org/10.1039/c5ra08321dopenalex-snapshot
Advances and challenges of sodium ion batteries as post lithium ion batteries
inferredcites →https://doi.org/10.1039/c5ta01443copenalex-snapshot
Ab initio study of sodium intercalation into disordered carbon
inferredcites →https://doi.org/10.1039/c6cc06990hopenalex-snapshot
Mechanistic insights into sodium storage in hard carbon anodes using local structure probes
inferredcites →https://doi.org/10.1039/c6ee02274jopenalex-snapshot
Exceptional energy and new insight with a sodium–selenium battery based on a carbon nanosheet cathode and a pseudographite anode
inferredcites →https://doi.org/10.1039/c7nr06645gopenalex-snapshot
Polycrystalline soft carbon semi-hollow microrods as anode for advanced K-ion full batteries
inferredcites →https://doi.org/10.1039/c7ra06777aopenalex-snapshot
Why is sodium-intercalated graphite unstable?
inferredcites →https://doi.org/10.1063/1.3382344openalex-snapshot
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
inferredcites →https://doi.org/10.1073/pnas.1602473113openalex-snapshot
Origin of low sodium capacity in graphite and generally weak substrate binding of Na and Mg among alkali and alkaline earth metals
inferredcites →https://doi.org/10.1080/13642819908218319openalex-snapshot
Local structure of nanoporous carbons
inferredcites →https://doi.org/10.1098/rspa.1951.0197openalex-snapshot
Crystallite growth in graphitizing and non-graphitizing carbons
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-snapshot
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.47.558openalex-snapshot
Ab initio molecular dynamics for liquid metals
inferredcites →https://doi.org/10.1103/physrevb.49.14251openalex-snapshot
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-snapshot
Projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-snapshot
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
inferredcites →https://doi.org/10.1103/physrevb.59.1758openalex-snapshot
From ultrasoft pseudopotentials to the projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevlett.42.1410openalex-snapshot
Long-Range Elastic Interactions and Staging in Graphite Intercalation Compounds
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1149/1.1379565openalex-snapshot
The Mechanisms of Lithium and Sodium Insertion in Carbon Materials
inferredcites →https://doi.org/10.1149/1.1393348openalex-snapshot
High Capacity Anode Materials for Rechargeable Sodium-Ion Batteries
inferredcites →https://doi.org/10.1149/1.2221153openalex-snapshot
Electrochemical Insertion of Sodium into Carbon
inferredcites →https://doi.org/10.1149/2.0091514jesopenalex-snapshot
Review—Hard Carbon Negative Electrode Materials for Sodium-Ion Batteries
inferredcites →https://doi.org/10.1557/mrc.2013.24openalex-snapshot
Curvature drastically changes diffusion properties of Li and Na on graphene

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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High temperature induced abundant closed nanopores for hard carbon as high-performance sodium-ion batteries anodes
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Hard carbon with embedded graphitic nanofibers for fast-charge sodium-ion batteries
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Microporous structure engineering of hard carbon through synergistic catalytic dehydration and activation for enhanced sodium ion storage
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Ordered mesoporous borocarbonitride-reduced graphene oxide heterostructure for quasi solid-state supercapacitors and sodium-ion batteries
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Progress and challenges in using sustainable carbon anodes in rechargeable metal-ion batteries
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Manipulating interfacial chemistry of hard carbon anodes through single-atom catalysis and formation cycling towards fast-charging sodium-ion batteries
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.5c04452openalex-snapshot
Deciphering Sodium Storage in Hard Carbon Anodes: A Review on the Interplay of Microstructure, Interfacial Engineering, and Electrochemical Performance
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b02003openalex-snapshot
Computational Study on the Adsorption of Sodium and Calcium on Edge-Functionalized Graphene Nanoribbons
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b07180openalex-snapshot
Enhanced Electrochemical Storage Properties of Na- and Mg-Intercalated B-Doped-Graphene Based Heterostructures and Bilayers
inferred← citeshttps://doi.org/10.1021/acsaem.0c00867openalex-snapshot
Elucidating the Sodiation Mechanism in Hard Carbon by Operando Raman Spectroscopy
inferred← citeshttps://doi.org/10.1021/acsaem.0c01750openalex-snapshot
Insights into the Plateau Capacity Dependence on the Rate Performance and Cycling Stability of a Superior Hard Carbon Microsphere Anode for Sodium-Ion Batteries
inferred← citeshttps://doi.org/10.1021/acsaem.4c03254openalex-snapshot
Na-Ion Storage and Diffusion Behavior in Coal-Based Hard Carbon on the View of Molecular Structure
inferred← citeshttps://doi.org/10.1021/acsami.9b20539openalex-snapshot
In Situ Electrochemical Coating Mechanism of NASICON-Structured AgTi2(PO4)3 for Sodium-Ion Batteries
inferred← citeshttps://doi.org/10.1021/acsenergylett.5c01780openalex-snapshot
Engineering Pseudo-Graphite-Dominated Hard Carbon as Anode for Sodium-Ion Batteries
inferred← citeshttps://doi.org/10.1021/acsnano.4c03484openalex-snapshot
Biomass-Derived Hard Carbon for Sodium-Ion Batteries: Basic Research and Industrial Application
inferred← citeshttps://doi.org/10.1021/jacs.1c06058openalex-snapshot
Correlating Local Structure and Sodium Storage in Hard Carbon Anodes: Insights from Pair Distribution Function Analysis and Solid-State NMR
inferred← citeshttps://doi.org/10.1038/s41524-021-00515-7openalex-snapshot
Nanometer-size Na cluster formation in micropore of hard carbon as origin of higher-capacity Na-ion battery
inferred← citeshttps://doi.org/10.1039/c9ee02356aopenalex-snapshot
A paradigm of storage batteries
inferred← citeshttps://doi.org/10.1039/c9ta05453gopenalex-snapshot
First-principles study of alkali-metal intercalation in disordered carbon anode materials
inferred← citeshttps://doi.org/10.1039/c9ta09124fopenalex-snapshot
Chemical-enzymatic fractionation to unlock the potential of biomass-derived carbon materials for sodium ion batteries
inferred← citeshttps://doi.org/10.1039/d0se01083aopenalex-snapshot
A facile and green synthesis approach to derive highly stable SiO x -hard carbon based nanocomposites for use as the anode in lithium-ion batteries
inferred← citeshttps://doi.org/10.1039/d1cp00610jopenalex-snapshot
Insights into the sodiation mechanism of hard carbon-like materials from electrochemical impedance spectroscopy
inferred← citeshttps://doi.org/10.1039/d2ta09406aopenalex-snapshot
Sodiation energetics in pore size controlled hard carbons determined via entropy profiling
inferred← citeshttps://doi.org/10.1039/d3qi01497eopenalex-snapshot
Unraveling the effect of carbon morphology evolution in hard carbons on sodium storage performance
inferred← citeshttps://doi.org/10.1039/d4cp01843eopenalex-snapshot
Transition metal Si-chalcogenides: a new two-dimensional anode material for Na-ion batteries
inferred← citeshttps://doi.org/10.1039/d5ra07677copenalex-snapshot
First-principles study of solvation effects on propylene carbonate reduction on defective hard carbon, for advanced sodium-ion battery anodes
inferred← citeshttps://doi.org/10.1039/d6ta00812gopenalex-snapshot
Commodity elastomer-derived ordered mesoporous hard carbon for high-performance sodium-ion battery anodes
inferred← citeshttps://doi.org/10.1080/1536383x.2019.1708736openalex-snapshot
Sodium storage properties of thin phosphorus-doped graphene layers developed on the surface of nanodiamonds under hot pressing conditions
inferred← citeshttps://doi.org/10.1088/2515-7655/ac01efopenalex-snapshot
2021 roadmap for sodium-ion batteries
inferred← citeshttps://doi.org/10.1088/2515-7655/acb570openalex-snapshot
Doping carbon electrodes with sulfur achieves reversible sodium ion storage
inferred← citeshttps://doi.org/10.1093/nsr/nwaf566openalex-snapshot
Achieving over 200 Wh kg−1 sodium-ion pouch cell by quantitative engineering of hard carbon pores
inferred← citeshttps://doi.org/10.1108/rpj-07-2025-0348openalex-snapshot
3D printing of lattice-structured hard carbon negative electrodes for sodium-ion batteries using vat photopolymerization
inferred← citeshttps://doi.org/10.1134/s0036024425700694openalex-snapshot
Carbon Defects Applied to Alkali-Ion Batteries: A Density Functional Theory Study
inferred← citeshttps://doi.org/10.1149/1945-7111/ac735aopenalex-snapshot
Sodiation-Induced Electrochromism in Carbon Nanofoam–Paper Electrodes
inferred← citeshttps://doi.org/10.14264/uql.2019.731openalex-snapshot
Enhancement of the performance of rechargeable batteries by proposing new materials
inferred← citeshttps://doi.org/10.20517/energymater.2024.63openalex-snapshot
A review of the preparation and characterization techniques for closed pores in hard carbon and their functions in sodium-ion batteries
inferred← citeshttps://doi.org/10.2139/ssrn.6845564openalex-snapshot
Dual Regulation of Surface Chemistry and Hierarchical Architecture via NaCl-Templating toward High-Performance Hard Carbon Nanosheets Anodes
inferred← citeshttps://doi.org/10.3389/fchem.2020.593932openalex-snapshot
Reactive Plasma N-Doping of Amorphous Carbon Electrodes: Decoupling Disorder and Chemical Effects on Capacitive and Electrocatalytic Performance
inferred← citeshttps://doi.org/10.3390/batteries9010045openalex-snapshot
Tuning Nitrogen-Doped Carbon Electrodes via Synthesis Temperature Adjustment to Improve Sodium- and Lithium-Ion Storage
inferred← citeshttps://doi.org/10.3390/coatings16070869openalex-snapshot
Computational Study on the Na Storage Mechanism in Carbon Anodes Based on Bilayer Graphene Nanoribbons with Zigzag and Armchair Edges
inferred← citeshttps://doi.org/10.3390/molecules27196516openalex-snapshot
Hard Carbons as Anodes in Sodium-Ion Batteries: Sodium Storage Mechanism and Optimization Strategies
inferred← citeshttps://doi.org/10.59761/rcr5100openalex-snapshot
Hard carbon as anode material for metal-ion batteries
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