Experimental and theoretical study of novel germanium tungstates compounds GexW1-xO3 (x ∼ 1/4, 1/2) and Ge1-xWO4 (x ∼ 0.2)

Merazka, Soumia; Kars, Mohammed; Roisnel, Thierry; Sidoumou, M.

doi:10.1016/j.molstruc.2023.135486

Journal of Molecular Structure

2023

DOI: 10.1016/j.molstruc.2023.135486

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Experimental and theoretical study of novel germanium tungstates compounds GexW1-xO3 (x ∼ 1/4, 1/2) and Ge1-xWO4 (x ∼ 0.2)

Soumia Merazka

Mohammed Kars

Thierry Roisnel

et al.

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2024

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Deciphering Sodium‐Ion Storage: 2D‐Sulfide versus Oxide Through Experimental and Computational Analyses

Sengupta,

Pramanik,

de Oliveira

et al. 2024

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Transition metal derivatives exhibit high theoretical capacity, making them promising anode materials for sodium‐ion batteries. Sulfides, known for their superior electrical conductivity compared to oxides, enhance charge transfer, leading to improved electrochemical performance. Here, a hierarchical WS2 micro‐flower is synthesized by thermal sulfurization of WO3. Comprising interconnected thin nanosheets, this structure offers increased surface area, facilitating extensive internal surfaces for electrochemical redox reactions. The WS2 micro‐flower demonstrates a specific capacity of ≈334 mAh g−1 at 15 mA g−1, nearly three times higher than its oxide counterpart. Further, it shows very stable performance as a high‐temperature (65 °C) anode with ≈180 mAh g−1 reversible capacity at 100 mA g−1 current rate. Post‐cycling analysis confirms unchanged morphology, highlighting the structural stability and robustness of WS2. DFT calculations show that the electronic bandgap in both WS2 and WO3 increases when going from the bulk to monolayers. Na adsorption calculations show that Na atoms bind strongly in WO3 with a higher energy diffusion barrier when compared to WS2, corroborating the experimental findings. This study presents a significant insight into electrode material selection for sodium‐ion storage applications.

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Deciphering Sodium‐Ion Storage: 2D‐Sulfide versus Oxide Through Experimental and Computational Analyses

Sengupta,

Pramanik,

de Oliveira

et al. 2024

Small

View full text Add to dashboard Cite

show abstract

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Experimental and theoretical study of novel germanium tungstates compounds GexW1-xO3 (x ∼ 1/4, 1/2) and Ge1-xWO4 (x ∼ 0.2)

Cited by 1 publication

References 60 publications

Deciphering Sodium‐Ion Storage: 2D‐Sulfide versus Oxide Through Experimental and Computational Analyses

Deciphering Sodium‐Ion Storage: 2D‐Sulfide versus Oxide Through Experimental and Computational Analyses

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