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REVIEW 3 major objections 6 minor 47 references

$\beta$-Irida-Graphene: A New 2D Carbon Allotrope for Sodium-Ion Battery Anodes

T0 review · 3 major / 6 minor · reviewed 2026-08-05 · deepseek-v4-flash

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Pith's one-line read Beta-Irida-graphene, a new 2D carbon allotrope, is predicted to be a fast, high-capacity anode for sodium-ion batteries.

desk verdict A solid DFT screening of a genuinely new carbon allotrope with good Na kinetics, but the headline capacity needs a saturation search before it is credible. read the letter →

arxiv 2508.04506 v1 pith:5YBW6BI7 submitted 2025-08-06 cond-mat.mtrl-sci

José A. S. Laranjeira , Kleuton A. L. Lima , Nicolas F. Martins , Luiz A. Ribeiro Junior , Douglas S. Galvão , Luis A. Cabral , Julio R. Sambrano This is my paper · ORCID
classification cond-mat.mtrl-sci
keywords beta-Irida-graphenecarbonallotrope2Dmaterialssodium-ionbatteryanodematerialdensityfunctionaltheorydiffusionbarrierspecificcapacity
verification ladder T0 review T1 audit T2 compute T3 formal

The pith

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

The reading

The paper introduces beta-Irida-graphene, a monolayer carbon allotrope built from 3-, 4-, 6-, 8-, and 9-membered rings, and argues that it is thermodynamically, dynamically, and mechanically stable and intrinsically metallic. Using density functional theory and ab initio molecular dynamics, it predicts that sodium adsorbs strongly (about $-2.0$ eV per Na), migrates with energy barriers of $0.16$ to $0.27$ eV, and stores up to 554.5 mAh/g with an average open-circuit voltage of 0.23 V. If these predictions hold, beta-Irida-graphene would combine high-rate sodium transport with structural robustness, addressing the slow diffusion and strain that limit conventional sodium-ion anodes.

What carries the argument

The central object is the beta-Irida-graphene monolayer itself, specifically its 8- and 9-membered carbon rings, which create large adsorption sites and low-barrier diffusion channels. The quantitative argument runs on density functional theory energies: adsorption energies, climbing-image nudged elastic band (CI-NEB) migration barriers, and open-circuit voltage and specific-capacity formulas built from successive Na-loading total energies.

What would settle it

Recompute the sodium adsorption energies, the 9-membered-ring strain energy, and the migration barriers with a hybrid functional such as HSE06 or with diffusion Monte Carlo; if the binding-site ordering changes or barrier heights move by more than about 0.1 eV, the capacity and rate predictions would need revision. Experimentally, synthesizing beta-Irida-graphene and measuring its galvanostatic voltage profile would directly test the predicted 554.5 mAh/g capacity and 0.23 V average voltage.

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Extended reading notes

Core claim

The central claim is that beta-Irida-graphene, derived from Irida-graphene, is a stable 2D carbon allotrope whose diverse polygonal lattice of 3-, 4-, 6-, 8-, and 9-membered carbon rings makes it a promising sodium-ion battery anode. The paper reports that the monolayer remains stable at 300 K in ab initio molecular dynamics simulations, exhibits metallic behavior, binds sodium ions with energies near $-2.0$ eV, and conducts Na along three migration pathways with barriers between $0.16$ and $0.27$ eV. From successive Na-loading calculations, it predicts a specific capacity of 554.5 mAh/g and a stable average open-circuit voltage of 0.23 V, with peak voltage near 0.90 V at low coverage. The a

Load-bearing premise

All reported numbers—capacity, voltage, barriers, binding energy, and stability—rest on one density-functional approximation with a dispersion correction; if that approximation misorders sodium binding or ring-strain energies, the central conclusions shift.

Editorial extensions

If this is right

  • Sodium diffusion barriers below 0.30 eV imply high ionic mobility at room temperature, supporting high-rate charge/discharge operation.
  • The predicted capacity of 554.5 mAh/g exceeds several established 2D anodes mentioned in the paper, including Ti$_2$B (503.1 mAh/g) and Ti$_3$C$_2$ (351.8 mAh/g).
  • A low, stable average voltage of 0.23 V with no abrupt fluctuations suggests high energy density and reduced sodium dendrite risk.
  • The monolayer remains planar and sodium atoms stay anchored during 5 ps AIMD at 300 K, indicating structural robustness under sodiation.
  • Metallic conductivity in the carbon framework would reduce the need for conductive additives in the anode.

Reading between the lines

Editorial extensions of the paper, not claims the author makes directly.

  • If the PBE-D2 level of theory is confirmed by higher-level methods, the same mixed-ring topology might also be screened for potassium or calcium ions, since the 8- and 9-membered rings should accommodate larger cations than sodium.
  • The open-circuit voltage profile starts near 0.90 V and drops below 0.25 V after the fourth sodium, so the practical average voltage could be tuned by doping or strain to flatten the early drop, a direction the paper does not explore.
  • The 9-membered rings are highly strained, so synthesis may require a bottom-up molecular precursor route; the stability calculations suggest a concrete target for such efforts, though synthesis itself is not addressed.
  • The reported diffusion coefficients come from Arrhenius extrapolation of zero-temperature barriers, so including phonon or temperature effects could reorder the relative rates of the three migration paths.
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Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, and a circularity audit.

Referee Report

3 major / 6 minor

Summary. The paper proposes β-Irida-graphene (β-IG), a new 2D carbon allotrope composed of 3-, 4-, 6-, 8-, and 9-membered rings, and evaluates it by PBE-D2 DFT and AIMD as a sodium-ion battery anode. The authors report that the monolayer is dynamically, thermally, and mechanically stable, is metallic, binds Na with energies around −2.0 eV, has CI-NEB diffusion barriers of 0.16–0.27 eV, and delivers a theoretical specific capacity of 554.5 mAh/g with an average OCV of 0.23 V. The central claim is that β-IG is a promising, high-rate, high-capacity carbon anode for Na-ion batteries.

Significance. If established, β-IG would expand the family of 2D carbon allotropes and add a candidate anode with competitive Na mobility and capacity. The paper uses a standard, appropriate DFT pipeline: phonon and elastic-constant analysis for the pristine monolayer, CI-NEB for migration paths, Bader analysis for charge transfer, and AIMD for thermal checks. It also benchmarks against several prior 2D anode materials. The main value would be the combination of intrinsic metallicity, low barriers, and high capacity in a single carbon allotrope. However, the quantitative storage-capacity and stability conclusions are not yet fully supported by the reported calculations.

major comments (3)
  1. [Capacity section, Fig. 11, Eq. (5), Eq. (6)] The maximum Na loading of 18 per 38-carbon cell is a single hand-built symmetric decoration. No configurational search over Na/vacancy arrangements, no test of n=19 or n=20, and no convex-hull analysis versus Na bulk is reported. The 18-Na state is therefore an assumed saturation endpoint, not a proven thermodynamic one. If an unsampled arrangement at some n is lower in energy, the OCV intervals in Fig. 12 shift; if Na bulk or Na clustering is competitive at high coverage, the full-loading state is metastable and the reversible capacity is lower. This directly affects the headline 554.5 mAh/g and average OCV of 0.23 V.
  2. [Eq. (6), Table 1] The capacity formula uses the mass of the sodiated structure (38C + 18Na) in the denominator. Theoretical anode capacities in most cited comparisons are normalized to the pristine host mass (xF/M_host). With host-only normalization, the same 18-Na loading gives about 1058 mAh/g, not 554.5 mAh/g. The comparison in Table 1 is therefore not apples-to-apples and the reported number is ambiguous. Please report both normalizations and make all literature comparisons use a common convention.
  3. [Fig. 13, thermal stability of Na-decorated β-IG] The AIMD evidence for thermal stability of the sodiated system is a single 5 ps trajectory at 300 K. This timescale is too short to rule out slow Na aggregation or desorption, especially starting from a symmetric, well-separated configuration. The claim of 'thermal robustness of the complex' should be softened, or supported by longer trajectories and/or multiple independent initial conditions. The phonon calculation for the pristine monolayer is a stronger stability indicator, but it does not validate the high-coverage sodiated state.
minor comments (6)
  1. [General] The manuscript contains many garbled/watermark artifacts and incomplete sentences (e.g., repeated '������� �� ������ �������' blocks). A clean, text-searchable version is needed.
  2. [Fig. 11] The claim that Na atoms remain 'uniformly distributed without significant distortion' is qualitative. Please define the adsorption sites, the initial placement, and a quantitative measure of distortion (e.g., bond-length distribution or buckling amplitude).
  3. [Eq. (5)] The displayed OCV formula is garbled in the extracted text. Please ensure the equation is typeset correctly, state the reference state (bcc Na) explicitly, and define the sign convention so that positive voltage corresponds to spontaneous Na insertion.
  4. [Table 1] For each compared material, specify the exact capacity normalization used. Without this, the comparison is not reproducible.
  5. [Fig. 12] The text says the OCV 'approaches 0.05 V at full Na coverage' and the average is 0.23 V. Please check that the plot, peak value, and average are mutually consistent and state which loading corresponds to the 0.90 V peak.
  6. [Diffusion coefficients, Fig. 10] The Arrhenius extrapolation to 300 K reports many significant digits. Please give the prefactor and the vibrational model used, and round the diffusivities to a physically meaningful precision.

Circularity Check

0 steps flagged · score 0.0 of 10

No circular derivation: capacity, barriers, and stability are direct DFT outputs with no fitted input renamed as prediction.

full rationale

The derivation chain for beta-Irida-graphene is self-contained. The structure is defined geometrically; stability is assessed by phonon, AIMD, and elastic-constant calculations performed in this work; Na diffusion barriers come from CI-NEB total energies; and the OCV and specific capacity are evaluated from the standard formulas in Eqs. 5 and 6 using DFT total energies. No reported quantity is a parameter fitted to the target result: the 18-Na loading is a manually constructed maximum coverage, not an input forced by the capacity formula. Prior Irida-graphene papers by overlapping author groups (e.g., refs. 33 and 62) are cited for comparative diffusion values, not as inputs to the equations that produce the central claims. The lack of an exhaustive Na/vacancy configurational search and the absence of a convex-hull analysis versus Na bulk are correctness/completeness concerns, not circularity, because the capacity and OCV are not defined in terms of those unsampled configurations and no fitted value is being relabeled as a prediction.

Assumptions & free parameters 1 free parameters · 4 assumptions · 1 invented entities

The paper's results are computed, not measured. The central quantitative claims rest on the PBE-D2 functional, the choice of a 38-atom cell with symmetric Na loading, and a short AIMD window. There are no fitted parameters in the usual sense, but the maximum Na loading is a hand-selected design choice.

free parameters (1)
  • Maximum Na loading n=18 per 38-carbon unit cell = 18 Na atoms
    Chosen as the highest loading in a symmetric 2 to 18 Na series and used in Eq. (6) for capacity. Not proven to be the thermodynamic saturation limit, and only symmetric configurations were sampled.
assumptions (4)
  • domain assumption PBE-D2 exchange-correlation functional accurately describes adsorption, diffusion, and phonons in strained carbon allotropes
    All quantitative claims, including binding energy, barriers, capacity, and OCV, are computed with this one approximation; no hybrid functional or experimental validation is reported.
  • ad hoc to paper A 5 ps AIMD trajectory at 300 K is sufficient to infer thermal stability
    Thermal stability of pristine and sodiated beta-IG is concluded from short AIMD runs, appear near Figure 13; 5 ps may not sample slow structural rearrangements.
  • domain assumption Symmetric adsorption on a single 38-atom cell captures bulk sodiation behavior
    Capacity and OCV assume an ordered, symmetric Na distribution on one unit cell; finite-size and ordering effects are not explored.
  • domain assumption Bulk metallic Na is the correct reference for OCV
    Standard computational electrochemistry convention used in Eq. (5); its accuracy for this system is not cross-checked.
invented entities (1)
  • beta-Irida-graphene monolayer
    purpose: Proposed 2D carbon anode for sodium-ion batteries
    Predicted structure with no reported synthesis or experimental observation; stability and performance rest entirely on DFT/AIMD in this paper.

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Cite this review

Pith. "Pith review of $\beta$-Irida-Graphene: A New 2D Carbon Allotrope for Sodium-Ion Battery Anodes." pith.science (2026). https://pith.science/paper/5YBW6BI7

@misc{pith2026250804506,
  author       = {Pith},
  title        = {Pith review of: $\beta$-Irida-Graphene: A New 2D Carbon Allotrope for Sodium-Ion Battery Anodes},
  year         = {2026},
  howpublished = {\url{https://pith.science/paper/5YBW6BI7}},
  note         = {Machine review of arXiv:2508.04506}
}
abstract

The quest for sustainable and efficient energy storage has driven the exploration of sodium-ion batteries (SIBs) as promising alternatives to lithium-ion systems. However, the larger ionic radius of sodium poses intrinsic challenges such as slow diffusion and structural strain in conventional electrode materials. As a contribution to addressing these limitations, the \b{eta}-Irida-graphene ($\beta$-IG) is herein introduced, a novel two-dimensional (2D) carbon allotrope derived from Irida-graphene, featuring a diverse polygonal lattice of 3-, 4-, 6-, 8-, and 9-membered carbon rings. Through density functional theory and ab initio molecular dynamics simulations, $\beta$-IG demonstrated remarkable thermal, dynamical, and mechanical stability, coupled with intrinsic conductive character and efficient sodium-ion mobility (energy barriers < 0.30 eV). Furthermore, the adsorption of sodium ions was energetically favorable, delivering an impressive predicted specific capacity of 554.5 mAh/g. The reported findings highlight $\beta$-IG as a good potential anode candidate for next-generation SIBs, offering high-rate performance and structural robustness, and expanding the functional design space for advanced carbon-based electrode materials.

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Reference graph

Works this paper leans on

47 extracted references · 42 canonical work pages

  1. [31]

    Emergingpropertiesofcarbonbased 2dmaterialbeyondgraphene

    Susmita Jana, Arka Bandyopadhyay, Sujoy Datta, Debaprem Bhat- tacharya,andDebnarayanJana. Emergingpropertiesofcarbonbased 2dmaterialbeyondgraphene. ������� �� �������� ��������� ������, 34(5):053001, nov 2021

    work page 2021

  2. [32]

    Pereira Júnior, W.F

    M.L. Pereira Júnior, W.F. da Cunha, W.F. Giozza, R.T. de Sousa Junior, and L.A. Ribeiro Junior. Irida-graphene: A new 2d carbon allotrope. ��������, 37:100469, 2023

    work page 2023

  3. [33]

    Martins, José A

    Nicolas F. Martins, José A. Laranjeira, Guilherme S.L. Fabris, Pablo A. Denis, and Julio R. Sambrano. Irida-graphene as a high- performance anode for sodium batteries.������� �� ������ �������, 104:114637, 2024

    work page 2024

  4. [34]

    Laranjeira, Warda Elaggoune, Nicolas F

    José A.S. Laranjeira, Warda Elaggoune, Nicolas F. Martins, Xihao Chen,andJulioR.Sambrano.Oli3-decoratedirida-grapheneforhigh- capacityhydrogenstorage:Afirst-principlesstudy. ������� �� ������� ��� ��������� �� ������, 207:112951, 2025

    work page 2025

  5. [35]

    Stable and 7.7 wt������������� ������� �� �������� ������, 50:738–748, 2024

    Yongkang Tan, Xiaoma Tao, Yifang Ouyang, and Qing Peng. Stable and 7.7 wt������������� ������� �� �������� ������, 50:738–748, 2024

    work page 2024

  6. [36]

    Felix, Raphael M

    Isaac M. Felix, Raphael M. Tromer, Leonardo D. Machado, Dou- glas S. Galvão, Luiz A. Ribeiro, and Marcelo L. Pereira. Irida- graphene phonon thermal transport via non-equilibrium molecular dynamics simulations.���������, 16:16430–16438, 2024

    work page 2024

  7. [37]

    Irida-graphene: A new two-dimensional electrode material for sodium-ion batteries

    ManpreetKaur,NidhiDuhan,andT.J.DhilipKumar. Irida-graphene: A new two-dimensional electrode material for sodium-ion batteries. ������� �� ������ �������, 104:114456, 2024

    work page 2024

  8. [38]

    Theoretical prediction on irida-graphene monolayer as promising anode material for lithium-ion batteries.������������� ��������� �������, 244:113225, 2024

    Xin Xiong, Hong-Bao Cao, Zheng Lu, Chun-Sheng Liu, and Xiao- Juan Ye. Theoretical prediction on irida-graphene monolayer as promising anode material for lithium-ion batteries.������������� ��������� �������, 244:113225, 2024

    work page 2024

Show all 47 references
  1. [39]

    Ca- decorated 2d irida-graphene as a promising hydrogen storage mate- rial: A combination of dft and aimd study.������������� ������� �� �������� ������, 91:118–126, 2024

    Yafei Zhang, Ze Liu, Junxiong Guo, Zhi Cao, and Jian Wang. Ca- decorated 2d irida-graphene as a promising hydrogen storage mate- rial: A combination of dft and aimd study.������������� ������� �� �������� ������, 91:118–126, 2024

    2024

  2. [40]

    Li-decorated 2d irida-graphene as apotentialhydrogenstoragematerial:Adispersion-correcteddensity functional theory calculations

    Ya-Fei Zhang and Junxiong Guo. Li-decorated 2d irida-graphene as apotentialhydrogenstoragematerial:Adispersion-correcteddensity functional theory calculations. ������������� ������� �� �������� ������, 50:1004–1014, 2024

    2024

  3. [41]

    Reversible hydrogen storage with na- modified irida-graphene: A density functional theory study.������ �������� ������� �� �������� ������, 85:1–11, 2024

    ZhanjiangDuan,ShunpingShi,ChunyuYao,XiaolingLiu,KaiDiao, Dan Lei, and Yiliang Liu. Reversible hydrogen storage with na- modified irida-graphene: A density functional theory study.������ �������� ������� �� �������� ������, 85:1–11, 2024

    2024

  4. [42]

    First-principles investigation of irida- graphenedecoratedwithalkalimetalforreversiblehydrogenstorage

    Lihua Yuan, Mengjia Shi, Junyan Su, Daobin Wang, Haimin Zhang, Jijun Gong, and Jinyuan Ma. First-principles investigation of irida- graphenedecoratedwithalkalimetalforreversiblehydrogenstorage. ������������� ��� ����������� ���������, 1239:114756, 2024

    2024

  5. [43]

    First-principles study of the hydrogen storage properties of irida-graphene

    Yanhong Sun, Yuhong Chen, Menglin Yang, Kun Zhou, Jialin Sun, Kongyang Zhao, and Lai Xu. First-principles study of the hydrogen storage properties of irida-graphene. ����� ����� ����� �����, 27:915–929, 2025

    2025

  6. [44]

    Perspective: Fifty years of density-functional the- ory in chemical physics

    Axel D Becke. Perspective: Fifty years of density-functional the- ory in chemical physics. �� ����� �����, 140(18), 2014. DOI: 10.1063/1.4869598

    2014 doi

  7. [45]

    Ab initio molecular dynam- ics: Theory and implementation

    Dominik Marx and Jurg Hutter. Ab initio molecular dynam- ics: Theory and implementation. ������ ������� ��� ��� �������� �� ������� ���������, 1(301-449):141, 2000. DOI: www.theochem.rub.de/images/theochem/research/marx/marx.pdf

    2000

  8. [46]

    Perdew, Kieron Burke, and Matthias Ernzerhof

    John P. Perdew, Kieron Burke, and Matthias Ernzerhof. Generalized gradientapproximationmadesimple. ����� ���� �����,77:3865–3868, Oct 1996

    1996

  9. [47]

    P. E. Blöchl. Projector augmented-wave method. ����� ���� �, 50:17953–17979, 1994. DOI: 10.1103/PhysRevB.50.17953

    1994 doi

  10. [48]

    Ab initio molecular dynamics for liquid metals

    Georg Kresse and Jürgen Hafner. Ab initio molecular dynamics for liquid metals. ����� ���� �, 47:558, 1993. DOI: 10.1103/Phys- RevB.47.558

    1993 doi

  11. [49]

    Efficient iterative schemes for abinitiototal-energycalculationsusingaplane-wavebasisset

    Georg Kresse and Jürgen Furthmüller. Efficient iterative schemes for abinitiototal-energycalculationsusingaplane-wavebasisset. ����� ���� �, 54:11169, 1996. DOI: 10.1103/PhysRevB.54.11169

    1996 doi

  12. [50]

    Semiempirical gga-type density functional con- structed with a long-range dispersion correction.�� ������� �����, 27(15):1787–1799, 2006

    Stefan Grimme. Semiempirical gga-type density functional con- structed with a long-range dispersion correction.�� ������� �����, 27(15):1787–1799, 2006. DOI: 10.1002/jcc.20495

    2006 doi

  13. [51]

    Canonical dynamics: Equilibrium phase-space distributions

    William G Hoover. Canonical dynamics: Equilibrium phase-space distributions. ����� ���� �, 31(3):1695, 1985

    1985

  14. [52]

    A fast and robust algorithm for bader decomposition of charge density

    Graeme Henkelman, Andri Arnaldsson, and Hannes Jónsson. A fast and robust algorithm for bader decomposition of charge density. ������� ������ ����, 36(3):354–360, 2006

    2006

  15. [53]

    Maragakis, Stefan A

    P. Maragakis, Stefan A. Andreev, Yisroel Brumer, David R. Reich- man, and Efthimios Kaxiras. Adaptive nudged elastic band approach for transition state calculation. ��� ������� �� �������� �������, 117(10):4651–4658, 09 2002

    2002

  16. [54]

    JACOB- SEN

    HANNES JÓNSSON, GREG MILLS, and KARSTEN W. JACOB- SEN. ������ ������� ���� ������ ��� ������ ������� ������ ����� �� �����������, pages 385–404

  17. [55]

    Quantum espresso: a modular and open-source software project forquantumsimulationsofmaterials

    Paolo Giannozzi, Stefano Baroni, Nicola Bonini, Matteo Calandra, Roberto Car, Carlo Cavazzoni, Davide Ceresoli, Guido L Chiarotti, Matteo Cococcioni, Ismaila Dabo, Andrea Dal Corso, Stefano de Gironcoli, Stefano Fabris, Guido Fratesi, Ralph Gebauer, Uwe Gerstmann, Christos Gou...

    2009

  18. [56]

    Tpdh-graphene as a new anodic materialforlithiumionbattery:Dft-basedinvestigations

    Juan Gomez Quispe, Bruno Ipaves, Douglas Soares Galvao, and Pedro Alves da Silva Autreto. Tpdh-graphene as a new anodic materialforlithiumionbattery:Dft-basedinvestigations. ��� ����� , 9(37):39195–39201, 2024. DOI: 10.1021/acsomega.4c06252

    2024 doi

  19. [57]

    Oxford University Press, 1954

    Max Born and Kun Huang.��������� ������ �� ������� ��������. Oxford University Press, 1954

    1954

  20. [58]

    Adsorption and diffusion of sodium on graphene with grain boundaries

    Xiaoli Sun, Zhiguo Wang, and Yong Qing Fu. Adsorption and diffusion of sodium on graphene with grain boundaries. ������, 116:415–421, 2017

    2017

  21. [59]

    Yingchun Ding, Bing Xiao, Jiling Li, Qijiu Deng, Yunhua Xu, Haifeng Wang, and Dewei Rao. Improved transport properties and novel li diffusion dynamics in van der waals c2n/graphene heterostructure as anode materials for lithium-ion batteries: A first- principles investigation....

    2019

  22. [60]

    Out-of-plane ion transport makes nitrogenated holey graphite a promising high-rate anode for both li and na ion batteries

    He Huang, Hong-Hui Wu, Cheng Chi, Jiaming Zhu, Baoling Huang, and Tong-Yi Zhang. Out-of-plane ion transport makes nitrogenated holey graphite a promising high-rate anode for both li and na ion batteries. ���������, 11:18758–18768, 2019

    2019

  23. [61]

    Butt, Fei Ye, Kong Long, Adel El-marghany, Yan Zhao, Javed Rehman, and Zhi-Peng Li

    Mehwish K. Butt, Fei Ye, Kong Long, Adel El-marghany, Yan Zhao, Javed Rehman, and Zhi-Peng Li. Computational screening of c6bn monolayer as a promising anode material for li/na-ion batteries. ������� �� ����� �������, 644:237119, 2025

    2025

  24. [62]

    Cabral, Luiz A

    NicolasF.Martins,JoséA.S.Laranjeira,KleutonA.L.Lima,LuisA. Cabral, Luiz A. Ribeiro, and Julio R. Sambrano. Hop-graphene: A high-capacityanodeforli/na-ionbatteriesunveiledbyfirst-principles calculations. ������� ������� �������, 710:163737, 2025

    2025

  25. [63]

    Dias, Julio R

    KleutonA.L.Lima,JoséA.S.Laranjeira,NicolasF.Martins,Alexan- dre C. Dias, Julio R. Sambrano, Douglas S. Galvão, and Luiz A. Ribeiro Junior. Petal-graphyne: A novel 2d carbon allotrope for high-performance li and na ion storage.������� �� ������ �������, 130:117235, 2025

    2025

  26. [64]

    Debbichi, A

    M. Debbichi, A. Mallah, M. Houcine Dhaou, and S. Lebègue. First- principlesstudyofmonolayer �����-���� asapromisinganodemate- rial for��/��-ion batteries. ����� ���� �����, 16:024016, Aug 2021

    2021

  27. [65]

    Doping at sp�-site in graphene�monolayers as high-capacity nodal- line semimetal anodes for na-ion batteries: A dft study.��� ����� , 10(9):9301–9313, 2025

    Surila, Xiaodong Lv, Shaolong Su, Bingwen Zhang, and Jian Gong. Doping at sp�-site in graphene�monolayers as high-capacity nodal- line semimetal anodes for na-ion batteries: A dft study.��� ����� , 10(9):9301–9313, 2025. DOI: 10.1021/acsomega.4c09865. ���������� �� �����������...

    2025 doi

  28. [66]

    Revealing the superlative electrochemical properties of o-b2n2 monolayer in lithium/sodium-ion batteries

    Nabil Khossossi, Wei Luo, Zakaryae Haman, Deobrat Singh, Is- mail Essaoudi, Abdelmajid Ainane, and Rajeev Ahuja. Revealing the superlative electrochemical properties of o-b2n2 monolayer in lithium/sodium-ion batteries. ���� ������, 96:107066, 2022

    2022

  29. [67]

    Potential application of 2d monolayer �-gese as an anode material in na/k ion batteries.�������� ��������� �������� �������, 20(48):30290–30296, 2018

    You Zhou, Ming Zhao, Zhi Wen Chen, Xiang Mei Shi, and Qing Jiang. Potential application of 2d monolayer �-gese as an anode material in na/k ion batteries.�������� ��������� �������� �������, 20(48):30290–30296, 2018

    2018

  30. [68]

    Kadhim, Nasier Sadoon, Zainab Sabri Abbas, Safa K

    Mustafa M. Kadhim, Nasier Sadoon, Zainab Sabri Abbas, Safa K. Hachim,SallalA.H.Abdullaha,andAhmedMahdiRheima. Explor- ingtheroleof2d-c2nmonolayersinpotassiumionbatteries. ������� �� ��������� ��������, 29(5):139, Apr 2023

    2023

  31. [69]

    Monolayer and bilayerasc5aspromisinganodematerialsforna-ionbatteries

    Qiang Lu, Lian-Lian Zhang, and Wei-Jiang Gong. Monolayer and bilayerasc5aspromisinganodematerialsforna-ionbatteries. ������� �� ����� �������, 580:233439, 2023

    2023

  32. [70]

    The- oretical characterization of tolanene: A new 2d sp-sp2 hy- bridized carbon allotrope

    Saif Ullah, Marcos G Menezes, and Alexander M Silva. The- oretical characterization of tolanene: A new 2d sp-sp2 hy- bridized carbon allotrope. ������, 217:118618, 2024. DOI: 10.1016/j.carbon.2023.118618

    2024

  33. [71]

    Theoretical investigation of ti2b monolayer as powerful anode material for li/na batteries with high storage capacity.������� ������� �������, 538:148048, 2021

    Shao-FeiWang,Bao-TianWang,TaoBo,Jun-RongZhang,andFang- Wei Wang. Theoretical investigation of ti2b monolayer as powerful anode material for li/na batteries with high storage capacity.������� ������� �������, 538:148048, 2021

    2021

  34. [72]

    Dequan Er, Junwen Li, Michael Naguib, Yury Gogotsi, and Vivek B. Shenoy. Ti3c2 mxene as a high capacity electrode material for metal (li, na, k, ca) ion batteries. ��� ������� ��������� � ����������, 6(14):11173–11179, 2014. PMID: 24979179

    2014

  35. [73]

    Mn2c monolayer: A superior anode material offering good conductivity, high storage capacity and ultrafast ion diffusion for li-ion and na-ion batteries

    Xiaoming Zhang, Weizhen Meng, Tingli He, Lei Jin, Xuefang Dai, and Guodong Liu. Mn2c monolayer: A superior anode material offering good conductivity, high storage capacity and ultrafast ion diffusion for li-ion and na-ion batteries. ������� ������� �������, 503:144091, 2020

    2020

  36. [74]

    Ab initio prediction and characterization of mo2c monolayer as anodes for lithium-ion and sodium-ion batteries.��� ������� �� �������� ��������� �������, 7(6):937–943, 2016

    Qilong Sun, Ying Dai, Yandong Ma, Tao Jing, Wei Wei, and Baibiao Huang. Ab initio prediction and characterization of mo2c monolayer as anodes for lithium-ion and sodium-ion batteries.��� ������� �� �������� ��������� �������, 7(6):937–943, 2016. PMID: 26905961

    2016

  37. [75]

    Prediction of a flexible anode material for li/na ion batteries: Phosphorous carbide monolayer (�-pc)

    SiyunQi,FengLi,JunruWang,YuanyuanQu,YanmeiYang,Weifeng Li, and Mingwen Zhao. Prediction of a flexible anode material for li/na ion batteries: Phosphorous carbide monolayer (�-pc). ������, 141:444–450, 2019

    2019

  38. [76]

    Xiaoming Zhang, Zhiming Yu, Shan-Shan Wang, Shan Guan, Hui Ying Yang, Yugui Yao, and Shengyuan A. Yang. Theoretical prediction of mon2 monolayer as a high capacity electrode material for metal ion batteries.�� ������ ����� �, 4:15224–15231, 2016

    2016

  39. [77]

    Reconfiguring graphene for high-performance metal-ion battery anodes

    Shuaiwei Wang, Baocheng Yang, Houyang Chen, and Eli Ruck- enstein. Reconfiguring graphene for high-performance metal-ion battery anodes. ������ ������� ���������, 16:619–624, 2019. ���������� �� ������������ ��������� �� �������� ���� �� �� ��

    2019

Pith tools

Reviewed August 5, 2026 · model on record in the stance chip above.