Understanding the influence of crystal packing density on electrochemical energy storage materials

Dong, Wujie; Huang, Fuqiang

doi:10.1016/j.esci.2023.100158

Cited by 26 publications

(14 citation statements)

References 453 publications

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“…[4e] Recently, the packing factor model has been proposed to evaluate the battery materials. [17] The packing factor (PF) can be computed by dividing the sum of spherical volumes by the unit cell volume, as seen in the following equation: PF = P i V i =V cell , where V i is the ion volume, calculated by assuming spherical ions with a Shannon radius, and V cell is the cell volume. In this work, the cell volume Vcell (631.514 Å 3 ) of NMO-18 h is obtained from the result of refinement, while the ion volume V i (340.119 Å 3 ) is calculated by assuming spherical ions with a Shannon radius that depends on the valence state, coordination number, and spin state of the relevant elements.…”

Section: Methodsmentioning

confidence: 99%

Structural Distortion in the Wadsley‐Roth Niobium Molybdenum Oxide Phase Triggering Extraordinarily Stable Battery Performance

Wu,

Liang,

Kong Pang

et al. 2024

Angew Chem Int Ed

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Wadsley‐Roth niobium oxide phases have attracted extensive research interest recently as promising battery anodes. We have synthesized the niobium‐molybdenum oxide shear phase (Nb, Mo)13O33 with superior electrochemical Li‐ion storage performance, including an ultralong cycling lifespan of at least 15000 cycles. During electrochemical cycling, a reversible single‐phase solid‐solution reaction with lithiated intermediate solid solutions is demonstrated using in situ X‐ray diffraction, with the valence and short‐range structural changes of the electrode probed by in situ Nb and Mo K‐edge X‐ray absorption spectroscopy. This work reveals that the superior stability of niobium molybdenum oxides is underpinned by changes in octahedral distortion during electrochemical reactions, and we report an in‐depth understanding of how this stabilizes the oxide structure during cycling with implications for future long‐life battery material design.

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Section: Methodsmentioning

confidence: 99%

Structural Distortion in the Wadsley‐Roth Niobium Molybdenum Oxide Phase Triggering Extraordinarily Stable Battery Performance

Wu,

Liang,

Kong Pang

et al. 2024

Angew Chem Int Ed

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“…With the increase of ZnO amount, the carbon skeleton of ZPCs has a larger interlayer distance and better electron conductivity, which allows a faster kinetic rate of the Faraday reaction and promotes the diffusion of solid ions between layers. 27,35,37,38 All of these results suggest that faster kinetics is favored by the developed lamellar structure and the improved electron conductivity.…”

mentioning

confidence: 93%

“…The smaller semicircle in the high-frequency region of the ZPC-1/2/4 electrodes suggests that ZPC-1/2/4 provides more improved electronic conductivity than ZPC-0, which matches the results of previous conductivity measurements and the retention of CC in ZPC-1/2/4. With the increase of ZnO amount, the carbon skeleton of ZPCs has a larger interlayer distance and better electron conductivity, which allows a faster kinetic rate of the Faraday reaction and promotes the diffusion of solid ions between layers. ,,, All of these results suggest that faster kinetics is favored by the developed lamellar structure and the improved electron conductivity.…”

mentioning

confidence: 95%

Upgrading Polyvinyl Chloride by ZnO-Assisted Solvothermal Dehalogenation

Deng,

Xu,

Lan

et al. 2024

ACS Materials Lett.

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Poly(vinyl chloride) (PVC) wastes have attracted significant concern in terms of the environment, economy, and health. Although there is considerable emphasis on the recycling of PVC waste, research on its upgrading conversion still faces great challenges. Here, a ZnO-assisted dehalogenation strategy under facile solvothermal conditions is demonstrated for upgrading PVC to high-value carbon materials. Chlorine content is reduced from ∼56.7 wt % (pristine PVC) to ∼1.7 wt %, removing ∼96.9% Cl. Besides, the total carbon residue rate of such a method reaches up to ∼75 at. %. For comparison, it is only ∼26 atom % for the direct pyrolysis of PVC, along with the corrosive HCl and highly toxic dioxins. The as-prepared carbon materials with porous structure, high-content sp2-C, and lamellar layers allow a faster kinetic rate of the Faraday reaction and promotes the ions diffusion between layers. As the anode of the lithium-ion battery, the optimal sample delivers 500.5 mAh g–1 at 125 mA g–1 and maintains a stable capacity of 150.6 mAh g–1 even at 6250 mA g–1. This work provides a promising strategy for upcycling PVC into high-value products.

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“…Further, recent studies on lattice dynamics also demonstrated that a delocalized anion (which can be obtained by electron injection) will weaken the bonding interactions between the mobile cations and surrounding anions in crystal material; thus, achieving enhanced ionic conductivity. [40][41][42][43] Taken together, inserting electron-rich Mo species to tear the 2D layers of MoS 2 may be a viable approach to obtain a fast-charging SIB anode.…”

Section: Introductionmentioning

confidence: 99%

1D Insertion Chains Induced Small‐Polaron Collapse in MoS₂ 2D Layers Toward Fast‐Charging Sodium‐Ion Batteries

Lv,

Zhao,

Xie

et al. 2023

Advanced Materials

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Molybdenum disulfide (MoS2) with high theoretical capacity is viewed as a promising anode for sodium‐ion batteries but suffers from inferior rate capability owing to the polaron‐induced slow charge transfer. Herein, a polaron collapse strategy induced by electron‐rich insertions is proposed to effectively solve the above issue. Specifically, 1D [MoS] chains are inserted into MoS2 to break the symmetry states of 2D layers and induce small‐polaron collapse to gain fast charge transfer so that the as‐obtained thermodynamically stable Mo2S3 shows metallic behavior with 107 times larger electrical conductivity than that of MoS2. Theoretical calculations demonstrate that Mo2S3 owns highly delocalized anions, which substantially reduce the interactions of Na−S to efficiently accelerate Na+ diffusion, endowing Mo2S3 lower energy barrier (0.38 vs 0.65 eV of MoS2). The novel Mo2S3 anode exhibits a high capacity of 510 mAh g−1 at 0.5 C and a superior high‐rate stability of 217 mAh g−1 at 40 C over 15 000 cycles. Further in situ and ex situ characterizations reveal the in‐depth reversible redox chemistry in Mo2S3. The proposed polaron collapse strategy for intrinsically facilitating charge transfer can be conducive to electrode design for fast‐charging batteries.

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Understanding the influence of crystal packing density on electrochemical energy storage materials

Cited by 26 publications

References 453 publications

Structural Distortion in the Wadsley‐Roth Niobium Molybdenum Oxide Phase Triggering Extraordinarily Stable Battery Performance

Structural Distortion in the Wadsley‐Roth Niobium Molybdenum Oxide Phase Triggering Extraordinarily Stable Battery Performance

Upgrading Polyvinyl Chloride by ZnO-Assisted Solvothermal Dehalogenation

1D Insertion Chains Induced Small‐Polaron Collapse in MoS₂ 2D Layers Toward Fast‐Charging Sodium‐Ion Batteries

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Understanding the influence of crystal packing density on electrochemical energy storage materials

Cited by 26 publications

References 453 publications

Structural Distortion in the Wadsley‐Roth Niobium Molybdenum Oxide Phase Triggering Extraordinarily Stable Battery Performance

Structural Distortion in the Wadsley‐Roth Niobium Molybdenum Oxide Phase Triggering Extraordinarily Stable Battery Performance

Upgrading Polyvinyl Chloride by ZnO-Assisted Solvothermal Dehalogenation

1D Insertion Chains Induced Small‐Polaron Collapse in MoS2 2D Layers Toward Fast‐Charging Sodium‐Ion Batteries

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1D Insertion Chains Induced Small‐Polaron Collapse in MoS₂ 2D Layers Toward Fast‐Charging Sodium‐Ion Batteries