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77 ta ish

Ish: Investigation of aluminum nitride monolayer with biphenylene network as a potential negative electrode for magnesium ion battery

  1. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee, Weitao Yang, Robert G. Parr

    Maqola198884 iqtibos
    ABI

  2. A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

    Stefan Grimme, Jens Antony, Stephan Ehrlich +1

    Maqola201057 iqtibos
    ABI

  3. Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

    Stefan Grimme

    Maqola200642 iqtibos
    ABI

  4. A climbing image nudged elastic band method for finding saddle points and minimum energy paths

    Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson

    Maqola200021 iqtibos
    ABI

  5. Structurally stable electrospun nanofibrous cellulose acetate/chitosan biocomposite membranes for the removal of chromium ions from the polluted water

    Jinhui Xiong, Qian Hu, Jiaxi Wu +12

    Maqola202310 iqtibos
    ABI

  6. Amine-functionalized UiO-66 incorporated electrospun cellulose/chitosan porous nanofibrous membranes for removing copper ions

    Ronggang Luo, Kaixing Zhang, Yongjian Qin +8

    Maqola202310 iqtibos
    ABI

  7. Density-functional thermochemistry. I. The effect of the exchange-only gradient correction

    Axel D. Becke

    Maqola19929 iqtibos
    ABI

  8. Facile fabrication of electrospun hybrid nanofibers integrated cellulose, chitosan with ZIF-8 for efficient remediation of copper ions

    Kaixing Zhang, Chaojie Zhu, Linkun Xie +7

    Maqola20259 iqtibos
    ABI

  9. Ti<sub>3</sub>C<sub>2</sub> MXene as a High Capacity Electrode Material for Metal (Li, Na, K, Ca) Ion Batteries

    Dequan Er, Junwen Li, Michael Naguib +2

    Maqola20148 iqtibos
    ABI

  10. BP-biphenylene monolayers: A promising anode material for high-performance magnesium-ion batteries

    Rahadian Zainul, Ali Basem, Ahmed K. Nemah +6

    Maqola20247 iqtibos
    ABI

  11. Isolation of nanocrystalline cellulose from rice straw and preparation of its biocomposites with chitosan: Physicochemical characterization and evaluation of interfacial compatibility

    Kaimeng Xu, Can Liu, Kunyong Kang +4

    Maqola20176 iqtibos
    ABI

  12. Tailoring Electronic and Optical Properties of MXenes through Forming Solid Solutions

    Meikang Han, Kathleen Maleski, Christopher E. Shuck +10

    Maqola20205 iqtibos
    ABI

  13. Density Functional Theory Studies of Si<sub>2</sub>BN Nanosheets as Anode Materials for Magnesium-Ion Batteries

    Puspamitra Panigrahi, Shashi B. Mishra, Tanveer Hussain +2

    Maqola20205 iqtibos
    ABI

  14. Li and Na Diffusion in TiO<sub>2</sub> from Quantum Chemical Theory versus Electrochemical Experiment

    Sten Lunell, Arvids Stashans, Lars Ojamäe +2

    Maqola19975 iqtibos
    ABI

  15. Graphene-like carbon-nitrogen materials as anode materials for Li-ion and mg-ion batteries

    Jianhang Zhang, Gang Liu, Hechen Hu +5

    Maqola20195 iqtibos
    ABI

  16. Rational design of <scp>h‐AlC</scp> monolayer as anode material for Mg‐ion battery: A <scp>DFT</scp> study

    Nayana Shekh, Darshil Chodvadiya, Prafulla K. Jha

    Maqola20225 iqtibos
    ABI

  17. DFT-D study of carbon-doped β12 borophene as a desirable anode material for sodium-ion batteries

    Rahadian Zainul, Ali Basem, Hassan A. Kenjrawy +6

    Maqola20244 iqtibos
    ABI

  18. Study the application of pristine and Sn metal doped B2CN3 monolayer as an anode for Cs-ion battery

    Ali B.M. Ali, Abdulrahman T. Ahmed, Suranjana V. Mayani‎ +7

    MaqolaMXene and MAX Phase MaterialsJournal of Alloys and Compounds20254 iqtibos
    ABI

  19. Lithium and sodium adsorption properties of two-dimensional aluminum nitride

    Amretashis Sengupta

    Maqola20184 iqtibos
    ABI

  20. Open circuit voltage profile for Li-intercalation in rutile and anatase from first principles

    Marina V. Koudriachova

    Maqola20024 iqtibos
    ABI

  21. Cointercalation of Mg<sup>2+</sup> Ions into Graphite for Magnesium-Ion Batteries

    Dong‐Min Kim, Sung Chul Jung, Seongmin Ha +5

    Maqola20184 iqtibos
    ABI

  22. Graphite Intercalation by Mg Diamine Complexes

    Wei Xu, Hanyang Zhang, Michael M. Lerner

    Maqola20184 iqtibos
    ABI

  23. Lithium Storage on Graphdiyne Predicted by DFT Calculations

    Chenghua Sun, Debra J. Searles

    Maqola20124 iqtibos
    ABI

  24. Adsorption and diffusion of mono, di, and trivalent ions on two-dimensional TiS<sub>2</sub>

    Abdus Samad, Aamir Shafique, Young‐Han Shin

    Maqola20174 iqtibos
    ABI

  25. Adsorption and diffusion of lithium and sodium on the silicon nanowire with substrate for energy storage application: A first principles study

    Yingjian Yu, Sujuan Hu, Jian Huang

    Maqola20204 iqtibos
    ABI