Interlayer electronic coupling regulates the performance of FeN MXenes and Fe<sub>2</sub>B<sub>2</sub> MBenes as high-performance Li- and Al-ion batteries

Pang, Jiafei; Jin, Wenyuan; Kuang, Xiaoyu; Lu, Cheng

doi:10.1039/d3nr04100j

Nanoscale

2023

DOI: 10.1039/d3nr04100j

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Interlayer electronic coupling regulates the performance of FeN MXenes and Fe₂B₂ MBenes as high-performance Li- and Al-ion batteries

Jiafei Pang,

Wenyuan Jin,

Xiaoyu Kuang

et al.

Abstract: As two-dimensional (2D) materials are stacked into van der Waals structures, the interlayer electronic coupling can induce excellent properties in energy storage materials. Here, we investigate the interlayer coupling of...

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Cited by 6 publications

References 78 publications

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First‐Principles Studies on Transition Metal Doped Mo2B2 as Anode Material for Li‐Ion Batteries

Shi,

Yu,

Kang

et al. 2024

ChemistryOpen

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New two‐dimensional (2D) transition‐metal borides have attracted considerable interest in research on electrode materials for Li‐ion batteries (LIBs) owing to their promising properties. In this study, 2D molybdenum boride (Mo2B2) with and without transition metal (TM, TM=Mn, Fe, Co, Ni, Ru, and Pt) atom doping was investigated. Our results indicated that all TM‐doped Mo2B2 samples exhibited excellent electronic conductivity, similar to the intrinsic 2D Mo2B2 metal behavior, which is highly beneficial for application in LIBs. Moreover, we found that the diffusion energy barriers of Li along paths 1 and 2 for all TM‐doped Mo2B2 samples are smaller than 0.30 and 0.24 eV of the pristine Mo2B2. In particular, for 2D Co‐doped Mo2B2, the diffusion energy barriers of Li along paths 1 and 2 are reduced to 0.14 and 0.11 eV, respectively, making them the lowest Li diffusion barriers in both paths 1 and 2. This indicates that TM doping can improve the electrochemical performance of 2D Mo2B2 and that Co‐doped Mo2B2 is a promising electrode material for LIBs. Our work not only identifies electrode materials with promising electrochemical performance but also provides guidance for the design of high‐performance electrode materials for LIBs.

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First‐Principles Studies on Transition Metal Doped Mo2B2 as Anode Material for Li‐Ion Batteries

Shi,

Yu,

Kang

et al. 2024

ChemistryOpen

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MBene as novel and effective electrochemical material used to enhance paper-based biosensor for point-of-care testing ctDNA from mice serum

Yang,

Zhao,

Yang

et al. 2024

Chemical Engineering Journal

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Novel 2D MBenes-synthesis, structure, properties with excellent performance in energy conversion and storage: A review

Hayat,

Bashir,

Ahmed

et al. 2024

Materials Science and Engineering: R: Reports

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Interlayer electronic coupling regulates the performance of FeN MXenes and Fe₂B₂ MBenes as high-performance Li- and Al-ion batteries

Abstract: As two-dimensional (2D) materials are stacked into van der Waals structures, the interlayer electronic coupling can induce excellent properties in energy storage materials. Here, we investigate the interlayer coupling of...

Cited by 6 publications

References 78 publications

First‐Principles Studies on Transition Metal Doped Mo2B2 as Anode Material for Li‐Ion Batteries

First‐Principles Studies on Transition Metal Doped Mo2B2 as Anode Material for Li‐Ion Batteries

MBene as novel and effective electrochemical material used to enhance paper-based biosensor for point-of-care testing ctDNA from mice serum

Novel 2D MBenes-synthesis, structure, properties with excellent performance in energy conversion and storage: A review

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Interlayer electronic coupling regulates the performance of FeN MXenes and Fe2B2 MBenes as high-performance Li- and Al-ion batteries

Abstract: As two-dimensional (2D) materials are stacked into van der Waals structures, the interlayer electronic coupling can induce excellent properties in energy storage materials. Here, we investigate the interlayer coupling of...

Cited by 6 publications

References 78 publications

First‐Principles Studies on Transition Metal Doped Mo2B2 as Anode Material for Li‐Ion Batteries

First‐Principles Studies on Transition Metal Doped Mo2B2 as Anode Material for Li‐Ion Batteries

MBene as novel and effective electrochemical material used to enhance paper-based biosensor for point-of-care testing ctDNA from mice serum

Novel 2D MBenes-synthesis, structure, properties with excellent performance in energy conversion and storage: A review

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Product

Resources

About

Interlayer electronic coupling regulates the performance of FeN MXenes and Fe₂B₂ MBenes as high-performance Li- and Al-ion batteries