Electron‐Extraction Engineering Induced 1T’’‐1T’ Phase Transition of Re0.75V0.25Se2 for Ultrafast Sodium Ion Storage

Fang, Yuqiang; Lv, Ximeng; Lv, Zhuoran; Wang, Yan; Zheng, Gengfeng; Huang, Fuqiang

doi:10.1002/advs.202205680

Cited by 15 publications

(7 citation statements)

References 57 publications

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“…According to previous studies, the [MoS] insertion (i.e., electron-rich species injection) and as-obtained delocalized anions may account for this phenomenon. 53 Moreover, the binding energies of Na + in MoS 2 and Mo 2 S 3 were calculated to be 3.70 and 0.56 eV, respectively (Fig. 1d).…”

Section: Resultsmentioning

confidence: 93%

[MoS] Insertion Chains Induced Small-Polaron Collapse in MoS2 2D Layers: A Novel Mo2S3 Anode for Ultrafast Sodium Storage

Zhao

Xie

et al. 2023

Preprint

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Molybdenum disulfide (MoS2) with high theoretical capacity has been viewed as a promising anode for sodium-ion batteries, but suffers from inferior rate capability owing to the polaron-induced slow charge transfer. Herein, we proposed a polaron collapse strategy induced by electron-rich insertions 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 reduces 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 15000 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 could be conducive to electrode design for fast-charging batteries.

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Section: Resultsmentioning

confidence: 93%

[MoS] Insertion Chains Induced Small-Polaron Collapse in MoS2 2D Layers: A Novel Mo2S3 Anode for Ultrafast Sodium Storage

Zhao

Xie

et al. 2023

Preprint

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“…These two findings both suggest a localized electron state in ds -BCN materials, which might be a key factor accounting for the enhanced O 2 adsorption and as-promoted ORR performance. 38 , 39 Furthermore, the enlarged DOS around the Fermi level for ds -BCN with a narrow band gap also indicates the potential for faster electron–hole separation. The excitation state analyses proved the highly separated electron–hole configuration in ss -BCN and ds -BCN (inset in Figure 5 b).…”

Section: Resultsmentioning

confidence: 99%

Weak-Field Electro-Flash Induced Asymmetric Catalytic Sites toward Efficient Solar Hydrogen Peroxide Production

Chen,

Lv,

Wang

et al. 2024

JACS Au

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Borocarbonitride (BCN), in a mesoscopic asymmetric state, is regarded as a promising photocatalyst for artificial photosynthesis. However, BCN materials reported in the literature primarily consist of symmetric N-[B] 3 units, which generate highly spatial coupled electron−hole pairs upon irradiation, thus kinetically suppressing the solar-to-chemical conversion efficiency. Here, we propose a facile and fast weak-field electro-flash strategy, with which structural symmetry breaking is introduced on key nitrogen sites. Asobtained double-substituted BCN (ds-BCN) possesses high-concentration asymmetric [B] 2 −N-C coordination, which displays a highly separated electron−hole state and broad visible-light harvesting, as well as provides electron-rich N sites for O 2 affinity. Thereby, ds-BCN delivers an apparent quantum yield of 7.6% at 400 nm and a solar-tochemical conversion efficiency of 0.3% for selective 2e-reduction of O 2 to H 2 O 2 , over 4-fold higher than that of the traditional calcined BCN analogue and superior to the metal-free C 3 N 4 -based photocatalysts reported so far. The weak-field electro-flash method and as-induced catalytic site symmetry-breaking methodologically provide a new method for the fast and low-cost fabrication of efficient nonmetallic catalysts toward solar-to-chemical conversions.

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“…For example, a study by Chen et al involved encapsulating ReS 2 within two-dimensional honeycomb composite carbon nanosheets, which, when utilized as an anode material, delivered high-rate performance with a specific capacity of 231 mA h g –1 at a current density of 10.0 A g –1 and demonstrated exceptional cycle stability of 4000 cycles at 2.0 A g –1 . Additionally, Fang et al employed electron extraction technology to induce a phase transition from 1T” to 1T’ in Re 0.75 V 0.25 Se 2 , achieving ultrafast Na ion storage characterized by high conductivity and low diffusion energy barriers, alongside stable performance with a 97% capacity retention after 500 cycles at a 3C rate …”

Section: Introductionmentioning

confidence: 99%

Unveiling the Sodium Storage Mechanism of ReTe₂: Insights from First-Principles Calculations

Huang,

Xiong,

Lin

et al. 2024

Energy Fuels

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Transition metal dichalcogenides (TMDCs) are increasingly studied for their potential as anode materials in sodium-ion batteries (SIBs) due to their diverse structural phases. Among them, ReTe 2 , a low-symmetry distorted 1T-phase with a narrow band gap of 0.2 eV emerges as a particularly promising candidate. This study presents a comprehensive first-principles analysis to elucidate the electrochemical reaction mechanism and sodium (Na) storage properties of ReTe 2 . It is uncovered that ReTe 2 undergoes a semiconductor-to-metal transition upon Na intercalation, which is attributed to significant charge transfer. The theoretical investigations suggest a maximum intercalation capacity of x = 1 (Na x ReTe 2 ), beyond which the structure evolves into a Re monomer and a Na y Te intermediate phase. As Na intercalation progresses, tellurium (Te) atoms receive an increasing number of electrons from Na, which raises the Fermi level of the system and increases the antibonding contribution in Re−Te bonds. Consequently, the Re−Te bond strength is weakened. The intercalation of Na serves dual roles: bridging the ReTe 2 layers and simultaneously injecting carriers into the lattice, both of which are instrumental in boosting the electrical conductivity. These insights not only confirm ReTe 2 as a viable anode material for SIBs but also provide a detailed understanding of the electrochemical behaviors of low-symmetry 1T-phase TMDCs.

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Electron‐Extraction Engineering Induced 1T’’‐1T’ Phase Transition of Re_0.75V_0.25Se₂ for Ultrafast Sodium Ion Storage

Cited by 15 publications

References 57 publications

[MoS] Insertion Chains Induced Small-Polaron Collapse in MoS2 2D Layers: A Novel Mo2S3 Anode for Ultrafast Sodium Storage

[MoS] Insertion Chains Induced Small-Polaron Collapse in MoS2 2D Layers: A Novel Mo2S3 Anode for Ultrafast Sodium Storage

Weak-Field Electro-Flash Induced Asymmetric Catalytic Sites toward Efficient Solar Hydrogen Peroxide Production

Unveiling the Sodium Storage Mechanism of ReTe₂: Insights from First-Principles Calculations

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Electron‐Extraction Engineering Induced 1T’’‐1T’ Phase Transition of Re0.75V0.25Se2 for Ultrafast Sodium Ion Storage

Cited by 15 publications

References 57 publications

[MoS] Insertion Chains Induced Small-Polaron Collapse in MoS2 2D Layers: A Novel Mo2S3 Anode for Ultrafast Sodium Storage

[MoS] Insertion Chains Induced Small-Polaron Collapse in MoS2 2D Layers: A Novel Mo2S3 Anode for Ultrafast Sodium Storage

Weak-Field Electro-Flash Induced Asymmetric Catalytic Sites toward Efficient Solar Hydrogen Peroxide Production

Unveiling the Sodium Storage Mechanism of ReTe2: Insights from First-Principles Calculations

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Product

Resources

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Electron‐Extraction Engineering Induced 1T’’‐1T’ Phase Transition of Re_0.75V_0.25Se₂ for Ultrafast Sodium Ion Storage

Unveiling the Sodium Storage Mechanism of ReTe₂: Insights from First-Principles Calculations