Theoretical understanding of magnetic and electronic structures of Ti3C2 monolayer and its derivatives

Wu, Fang; Luo, Kang; Huang, Chengxi; Wu, Wenjuan; Meng, Peiwen; Liu, Yunfei; Kan, Erjun

doi:10.1016/j.ssc.2015.08.023

Cited by 56 publications

(34 citation statements)

References 41 publications

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“…3 Because of the unique structures, MXenes have potential applications in sensors, catalysts and electrochemical energy storage. 4 Recent theoretical investigations indicate that several MXenes, 4 such as Ti 3 C 2 , [5][6][7] Ti 3 N 2 , 5 Ti 3 CN, 7 Ti 2 C, Ti 2 N, 8,9 Ta 3 C 2 , 10 Cr 2 C and Cr 2 N, 11 as well as MXene nanoribbons 12 have magnetic ground states. They have interesting magnetism-related properties, such as half-metallicity of Cr 2 C 13 and near half-metallicity of Ti 2 C and Ti 2 N. 9 For Ti 2 C, the structure becomes a true half-metal with a minority-spin gap of 0.04 eV under a biaxial strain.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Prediction of the Intrinsic Half-Metallicity in Surface-Oxygen-Passivated Cr₂N MXene

Guo

2016

J. Phys. Chem. C

130

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Two-dimensional Cr 2 N MXene as well as the surface-passivated Cr 2 NF 2 , Cr 2 N(OH) 2 and Cr 2 NO 2 are investigated by using density functional theory. The Cr 2 N is an anti-ferromagnetic metal. The F atom or OH group-passivation does not change the anti-ferromagnetic characteristics. However, Cr 2 NO 2 has a ferromagnetic ground state, which is a half-metal. The half-metallicity of Cr 2 NO 2 is still robust when bias is applied to the nanometer sized device. The half-metallicity is intrinsic and does not require atomically clean surfaces. Therefore the stable surface-oxygen-passivated MXene is a good candidate for spintronics.

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Section: Introductionmentioning

confidence: 99%

Theoretical Prediction of the Intrinsic Half-Metallicity in Surface-Oxygen-Passivated Cr₂N MXene

Guo

2016

J. Phys. Chem. C

130

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“…For example,Ti 3 CNT x andTi 4 C 3 T x are non-magnetic with the surface groups O, OH, F etc. [39,50,52], while at room temperature Cr 2 CT x and Cr 2 NT x are ferromagnetic with OH and F surface groups [18,40,54] and Mn NT x is ferromagnetic independent of the surface groups [17]. These are calculated predictions and more experimental observations are needed.…”

Section: Magneticmentioning

confidence: 97%

MXene based Heterostructures for electrode materials of Batteries: A Review

Shanto

Chowdhury

Antu³

et al. 2022

IOP Conf. Ser.: Mater. Sci. Eng.

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Growing concerns about fossil fuel’s environmental impact, along with the recent breakthrough of electric vehicles, have turned research focus to energy storage solutions. Despite the fact that batteries were invented about 200 years ago, modern technologies are required to store energy in a larger grid with a high density. The electrode materials used in energy storage devices such as batteries and supercapacitors play a major role in their overall performance. A lot of materials have been explored but due to appealing electrical and electrochemical properties, MXene has received a lot of interest for energy storage devices. Because of their layered structure and high conductivity, MXenes are promising candidates for energy storage applications. Two-dimensional heterostructured materials are more advantageous than individual building blocks for batteries and supercapacitors. In this review work, we looked at different MXene based heterostructures and their electrochemical performance as electrode materials of batteries. A particular application of MXene in Lithium-ion batteries has been studied. Synthesis and characteristics of MXenes are briefly discussed here. Finally, future prospects and challenges are highlighted.

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Section: Physical Properties and Defect Engineering Of Mxenementioning

confidence: 99%

“…[14] Nevertheless, the calculations denote that the Ti 3 C 2 Tx single layer should be ferromagnetic. [126] The magnetic flash is produced due to Ti 3 d states, yet FG's surface termination process such as (O, H, F, and OH) can remove the magnetism effect because of the presence of saturated Ti surface atoms. [19] The diverse magnetic characteristics of the Ti 3 C 2 Tx MXene could because of i) the existence of both multi-and monolayers in the sample, ii) distribution study of large grain size, and iii) diverse content list of functional groups.…”

Section: Magnetic Propertiesmentioning

confidence: 99%

Recent Advancement for the Synthesis of MXene Derivatives and Their Sensing Protocol

Abbasi

Xiao

Peng

et al. 2021

Adv Materials Technologies

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sensing discipline and plays an indispensable role in many different research and applications. [2] During last decade various sensing techniques such as electrochemistry, [3] electronics, [4] optics (fluorescence, absorbance, chemiluminescence, surface plasmon resonance, and Raman spectra) [5] were successfully applied by different researcher worldwide. [6] However, it is still a major challenge to satisfy the rising demand for sensing with low price characteristics, the high value of sensitivity, and convenient service. [7] Due to unique optical and electrochemical properties over the past decade, different morphologies of 0D, 1D, and 2D materials are successfully applied to achieve more efficient results.In the visible region, metallic-based 0D and 1D materials, the most widely explored metal nanostructures, have different plasmonic absorption bands. The absorption peak of metallic NPS is extremely sensitive to even minor variations in the environment's dielectric properties. [8] The interactions between an electric field and a radio frequency-like laser pulsed field could also enhance the optical processes such as surface-enhanced Raman scattering (SERS). There are numerous publications in which the production of metallic NPs for plasmonic sensing has been addressed. [9] However, the metallic NPs have certain notable disadvantages, such as high cost, poor stability, and adsorption ability toward chemicals or biomolecules, thus, hampering its application in plasmonic sensing.The highly efficient, 2D material-based sensing devices are well-suited with the advanced production technology, which provides the data that can be applied effectively for the monitoring of environmental and health-related problems.Various 2D material like transition metal chalcogenides, graphene and its oxides, metal oxides black phosphorus (BP), and some other 2D nanomaterials are representing the prosperities to be alluring for the preparation process of highly sensitive sensors because of their exceptional material characteristics which arise from their inherent structures. [10] The main benefits of features like energy-efficient, miniaturization, low-cost, easy production, online monitoring system, and simultaneous sensing capability are the driving force for the continued The highly efficient, 2D material-based sensing devices are well-suited with the advanced production technology which provide the data that can be applied effectively for the monitoring of environmental and health-related problems. Recently, MXenes considered as new blood in the form of 2D transition metal carbides (TMC), transition metal nitride or transition metal carbonitrides that are added first time to 2D nanomaterials family MXene which are compounds obtained as a result of chemical delamination of quaternary or (ternary) layered nitrides or carbides found as an outstanding member of 2D elemental materials. On behalf of rich chemistries and unique morphologies, the MXenes derivatives delivered efficient sensors, energy storage, catalysis, and water purifica...

show abstract

Theoretical understanding of magnetic and electronic structures of Ti3C2 monolayer and its derivatives

Cited by 56 publications

References 41 publications

Theoretical Prediction of the Intrinsic Half-Metallicity in Surface-Oxygen-Passivated Cr₂N MXene

Theoretical Prediction of the Intrinsic Half-Metallicity in Surface-Oxygen-Passivated Cr₂N MXene

MXene based Heterostructures for electrode materials of Batteries: A Review

Recent Advancement for the Synthesis of MXene Derivatives and Their Sensing Protocol

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Theoretical understanding of magnetic and electronic structures of Ti3C2 monolayer and its derivatives

Cited by 56 publications

References 41 publications

Theoretical Prediction of the Intrinsic Half-Metallicity in Surface-Oxygen-Passivated Cr2N MXene

Theoretical Prediction of the Intrinsic Half-Metallicity in Surface-Oxygen-Passivated Cr2N MXene

MXene based Heterostructures for electrode materials of Batteries: A Review

Recent Advancement for the Synthesis of MXene Derivatives and Their Sensing Protocol

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Theoretical Prediction of the Intrinsic Half-Metallicity in Surface-Oxygen-Passivated Cr₂N MXene

Theoretical Prediction of the Intrinsic Half-Metallicity in Surface-Oxygen-Passivated Cr₂N MXene