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240904s2024 xx |||||o 00| ||eng c |
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|a 10.1021/acs.langmuir.4c01637
|2 doi
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|a pubmed24n1536.xml
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|a eng
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| 100 |
1 |
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|a Hu, Junshan
|e verfasserin
|4 aut
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|a Potential Application of 2D Haeckelite MoS2 as an Anode Material for Mg Ion Batteries
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|c 2024
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|a Text
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|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|a Date Revised 17.09.2024
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a The design and preparation of anode materials with structural stability, fast ion transmission, and low open-circuit voltage are critical to the development of magnesium ion batteries (MIBs). The feasibility of the unique phase Haeckelite MoS2 (Hae-MoS2) monolayer with Haeckelite structure as a potential anode material for MIBs was investigated using density functional theory (DFT) calculations. The Hae-MoS2 monolayer exhibits excellent structural stability and semimetallic characteristics with a Dirac cone located at the Gamma point of band structure. Mg ion is easily adsorbed on the Hae-MoS2 monolayer surface with an adsorption energy of -2.06 eV and can diffuse rapidly with a low diffusion energy barrier (0.3 eV), indicating excellent charge and discharge rates. Most importantly, the Hae-MoS2 monolayer exhibits a suitable open-circuit voltage, which falls within the desired voltage range and ensures the safety of battery performance. These exceptional properties indicate that the Hae-MoS2 monolayer can be proposed as a candidate for anode material for MIBs
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|a Journal Article
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|a Jin, Wei
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Tan, Zhaoyang
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Wu, Song
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Tian, Jingyu
|e verfasserin
|4 aut
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|a Sun, Yujie
|e verfasserin
|4 aut
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|a Ding, Chang-Chun
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1999
|g 40(2024), 37 vom: 17. Sept., Seite 19396-19403
|w (DE-627)NLM098181009
|x 1520-5827
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| 773 |
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|g volume:40
|g year:2024
|g number:37
|g day:17
|g month:09
|g pages:19396-19403
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|u http://dx.doi.org/10.1021/acs.langmuir.4c01637
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