The effect of different organic solvents on sodium ion storage in carbon nanopores

Karatrantos, Argyrios; Khan, Md Sharif; Ohba, Tomonori; Cai, Qiong

doi:10.1039/c7cp04878e

Cited by 22 publications

(13 citation statements)

References 48 publications

(85 reference statements)

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“…DFT and MD simulations have shown that the pore structure of carbonaceous anodes directly influences the anode performance. [142,[211][212][213][214][215] From experimental characterization, both planar and curved pore motifs are present in nanoporous hard carbon. The exact contribution to anode performance of different pore shapes and size can be probed from computational studies, allowing for pore engineering to be conducted at an experimental stage.…”

Section: Effect Of Pore Shape and Size On Adsorption And Storagementioning

confidence: 99%

Atomic‐Scale Design of Anode Materials for Alkali Metal (Li/Na/K)‐Ion Batteries: Progress and Perspectives

Olsson

Zhang

et al. 2022

Advanced Energy Materials

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a variety of renewable energy technologies (based on solar, hydro, wind, geothermal power, etc.), 2) provide power sources for electric and hybrid vehicles for low-carbon or zero-carbon emissions of transportation systems, [3,4] and 3) provide power sources for various portable and wearable electronic devices. Alkali metal (AM) ion batteries (AMIBs) including lithium (Li)-ion batteries (LIBs), sodium (Na)-ion batteries (NIBs), and potassium (K)-ion batteries (KIBs) are important rechargeable battery technologies to support the decarbonization of both electricity supply and transportation systems. Currently dominating the rechargeable battery market is LIBs. NIBs and KIBs are developed as more sustainable alternatives and indeed complements, to mitigate challenges associated with the limited and geopolitically isolated Li resources. [1] Post-alkali metal ion batteries are also pursued such as multivalent ion batteries and lithium sulfur batteries. These battery technologies will not be covered in this review, but have been reviewed elsewhere. [5][6][7][8][9][10][11] The three AMIBs follow the same general cell operation, with variations in material selections (Figure 1). [12][13][14] During charge/discharge the AM ions move via an electrolyte between the cathode (positive electrode) and the anode (negative The development and optimization of high-performance anode materials for alkali metal ion batteries is crucial for the green energy evolution. Atomic scale computational modeling such as density functional theory and molecular dynamics allows for efficient and adventurous materials design from the nanoscale, and have emerged as invaluable tools. Computational modeling cannot only provide fundamental insight, but also present input for multiscale models and experimental synthesis, often where quantities cannot readily be obtained by other means. In this review, an overview of three main anode classes; alloying, conversion, and intercalation-type anodes, is provided and how atomic scale modeling is used to understand and optimize these materials for applications in lithium-, sodium-, and potassium-ion batteries. In the last part of this review, a novel type of anode materials that are largely predicted from density functional theory simulations is presented. These 2D materials are currently in their early stages of development and are only expected to gain in importance in the years to come, both within the battery field and beyond, highlighting the ability of atomic scale materials design.

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Section: Effect Of Pore Shape and Size On Adsorption And Storagementioning

confidence: 99%

Atomic‐Scale Design of Anode Materials for Alkali Metal (Li/Na/K)‐Ion Batteries: Progress and Perspectives

Olsson

Zhang

et al. 2022

Advanced Energy Materials

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“…The tunable micro/nanostructure properties of carbonaceous materials could involve the meso/nanopores, the amounts of defects, and certain functional groups. They are likely to affect the existing states of solvents or sodium salts near or on the surfaces of carbonaceous materials to some extent, including difficulty in the desolvation of sodium ions, the distribution gradient of solvent molecules, and the coupling strength of anions and cations, , making the situation near or on the anode surface quite different from those in the parent electrolyte. It should be noted that the micropores could even possibly influence the internal distribution of the interphase composition .…”

Section: Interphase Associations With Electrodesmentioning

confidence: 99%

Manipulating Electrode/Electrolyte Interphases of Sodium-Ion Batteries: Strategies and Perspectives

Wang

Niu

Yin

et al. 2020

ACS Materials Lett.

117

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After the past decade's rapid development, the commercial demands for sodium ion batteries (SIBs) have been put on the schedule for large-scale energy storage. Even though the electrode-electrolyte interphases play a very important role in determining the overall battery performance in terms of high energy density and long-cycling stability, studies regarding their fundamental understanding and regulation strategies are still in their infancy. Herein, we comprehensively review the current research status and the challenging issues of the as-generated SIB interphases from three main aspects. Firstly, a fundamental understanding of the main body interphase layers is introduced through the development of their formation mechanism, their composition/structure, and the dynamic evolution process involved, all of which are highly responsible for the Na + ion transport behavior to determine the final kinetic diffusion. Then, interphase manipulation via the parental electrolyte is summarized in terms of electrolyte engineering strategies, such as the solvent/salt selection, the concentration effect, and the functional additive screening to build a more stable interphase layer for desirable electrochemical reversibility. Finally, potential effects from the chosen electrodes are discussed to provide necessary associations with the interphase formation and evolution. Critical challenges for building stable Na-based interphase are identified, and in particular, new ways of thinking about the interphase chemistry and the electrolyte chemistry based on SIBs, are strongly appealing. We believe that this work is likely to attract attention to the rational design of Na-based interphase layers towards high-energy and long-life-span batteries.

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“…These pores have a wide range of pore diameters (which could also be referred to as interlayer distances for the planar graphitic layer micropores), ranging up to around 5 nm. [ 29,30,36,37 ] Experimental studies have shown that the interlayer distance of the planar graphitic layers in hard carbons has a direct influence on the ability to insert and extract Na, with interlayer distances of up to 8 Å reported. [ 29,30 ] It has also been shown that, apart from the planar graphitic layers, curved and rumpled domains are present in hard carbon systems.…”

Section: Introductionmentioning

confidence: 99%

Elucidating the Effect of Planar Graphitic Layers and Cylindrical Pores on the Storage and Diffusion of Li, Na, and K in Carbon Materials

Olsson

Cottom

et al. 2020

Adv Funct Materials

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Hard carbons are among the most promising materials for alkali-ion metal anodes. These materials have a highly complex structure and understanding the metal storage and migration within these structures is of utmost importance for the development of next-generation battery technologies. The effect of different carbon structural motifs on Li, Na, and K storage and diffusion are probed using density functional theory based on experimental characterizations of hard carbon samples. Two carbon structural models-the planar graphitic layer model and the cylindrical pore model-are constructed guided by small-angle X-ray scattering and transmission electron microscopy characterization. The planar graphitic layers with interlayer distance <6.5 Å are beneficial for metal storage, but do not have significant contribution to rapid metal diffusion. Fast diffusion is shown to take place in planar graphitic layers with interlayer distance >6.5 Å, when the graphitic layer separation becomes so wide that there is negligible interaction between the two graphitic layers. The cylindrical pore model, reflecting the curved morphology, does not increase metal storage, but significantly lowers the metal migration barriers. Hence, the curved carbon morphologies are shown to have great importance for battery cycling. These findings provide an atomic-scale picture of the metal storage and diffusion in these materials.

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The effect of different organic solvents on sodium ion storage in carbon nanopores

Cited by 22 publications

References 48 publications

Atomic‐Scale Design of Anode Materials for Alkali Metal (Li/Na/K)‐Ion Batteries: Progress and Perspectives

Atomic‐Scale Design of Anode Materials for Alkali Metal (Li/Na/K)‐Ion Batteries: Progress and Perspectives

Manipulating Electrode/Electrolyte Interphases of Sodium-Ion Batteries: Strategies and Perspectives

Elucidating the Effect of Planar Graphitic Layers and Cylindrical Pores on the Storage and Diffusion of Li, Na, and K in Carbon Materials

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