The band gap modulation of monolayer Ti<sub>2</sub>CO<sub>2</sub> by strain

Yu, Xing; Cheng, Jianbo; Liu, Zhenbo; Li, Qingzhong; Li, Wen-zuo; Yang, Xin; Xiao, Bo

doi:10.1039/c5ra01586c

Cited by 86 publications

(60 citation statements)

References 18 publications

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“…properties including electronic [23,[69][70][71][72][73] , magnetic [61,74] , dielectric [75] and optical properties [76] of MXene have been investigated by computations, subsequently, lots of experiments also focused on these properties to confirm the theoretical predictions. The electronic properties will be summarized here.…”

Section: Electronic Propertiesmentioning

confidence: 98%

MXene-based materials for electrochemical energy storage

Zhang

Zhou

2018

Journal of Energy Chemistry

632

282

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Section: Electronic Propertiesmentioning

confidence: 98%

MXene-based materials for electrochemical energy storage

Zhang

Zhou

2018

Journal of Energy Chemistry

632

282

View full text Add to dashboard Cite

“…It has been found that as the electronegativity difference between the functional groups and the transition metal becomes larger, there is a higher chance for semiconducting MXenes [68]. It should also be noted that semiconducting MXenes can be engineered using strain [69], electric field [70], or by being placed on the other 2D systems [71].…”

Section: Electronic Structuresmentioning

confidence: 99%

Recent advances in MXenes: From fundamentals to applications

Khazaei

Mishra

Venkataramanan

et al. 2019

Current Opinion in Solid State and Materials Science

308

147

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The family of MAX phases and their derivative MXenes are continuously growing in terms of both crystalline and composition varieties. In the last couple of years, several breakthroughs have been achieved that boosted the synthesis of novel MAX phases with ordered double transition metals and, consequently, the synthesis of novel MXenes with a higher chemical diversity and structural complexity, rarely seen in other families of two-dimensional (2D) materials. Considering the various elemental composition possibilities, surface functional tunability, various magnetic orders, and large spin−orbit coupling, MXenes can truly be considered as multifunctional materials that can be used to realize highly correlated phenomena. In addition, owing to their large surface area, hydrophilicity, adsorption ability, and high surface reactivity, MXenes have attracted attention for many applications, e.g., catalysts, ion batteries, gas storage media, and sensors. Given the fast progress of MXene-based science and technology, it is timely to update our current knowledge on various properties and possible applications. Since many theoretical predictions remain to be experimentally proven, here we mainly emphasize the physics and chemistry that can be observed in MXenes and discuss how these properties can be tuned or used for different applications.

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“…4 shows the projected density of states and projected band structures for Ti 2 C, Ti 2 CF 2 , and Ti 2 CO 2 . It has also been shown that the band gap of Ti 2 CO 2 and Sc 2 CO 2 can be significantly varied by applying either strain [117,118] or external electric field [119,120].…”

Section: Topologically Trivial Metals and Semiconductorsmentioning

confidence: 99%

Electronic properties and applications of MXenes: a theoretical review

et al. 2017

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Recent chemical exfoliation of layered MAX phase compounds to novel two-dimensional transition metal carbides and nitrides, so called MXenes, has brought new opportunity to materials science and technology. This review highlights the computational attempts that have been made to understand the physics and chemistry of this very promising family of advanced two-dimensional materials, and to exploit their novel and exceptional properties for electronic and energy harvesting applications.

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The band gap modulation of monolayer Ti₂CO₂ by strain

Abstract: Monolayer Ti2CO2: indirect–direct band gap transition under biaxial strain of ∼4% and uniaxial strain of ∼6%.

Cited by 86 publications

References 18 publications

MXene-based materials for electrochemical energy storage

MXene-based materials for electrochemical energy storage

Recent advances in MXenes: From fundamentals to applications

Electronic properties and applications of MXenes: a theoretical review

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The band gap modulation of monolayer Ti2CO2 by strain

Abstract: Monolayer Ti2CO2: indirect–direct band gap transition under biaxial strain of ∼4% and uniaxial strain of ∼6%.

Cited by 86 publications

References 18 publications

MXene-based materials for electrochemical energy storage

MXene-based materials for electrochemical energy storage

Recent advances in MXenes: From fundamentals to applications

Electronic properties and applications of MXenes: a theoretical review

Contact Info

Product

Resources

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The band gap modulation of monolayer Ti₂CO₂ by strain