2020
DOI: 10.1021/acs.jpclett.0c02886
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Surface Oxidation Modulates the Interfacial and Lateral Thermal Migration of MXene (Ti3C2Tx) Flakes

Abstract: The thermal management of MXene (Ti3C2T x ) plays a crucial role in its performance during various emerging applications. However, it is unclear how the inevitable oxidation structure of Ti3C2T x influences the thermal dissipation, which might hinder its long-term performance and even create thermal damage. Here we show the thermal migration of a Ti3C2T x flake with surface oxidation in film and water by combining ultrafast pump–probe technique with molecular dynamics (MD) simulations. The results demonstrat… Show more

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Cited by 15 publications
(14 citation statements)
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References 31 publications
(41 reference statements)
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“…We first discuss the femtosecond results and afterward the ripple formation. The observed ultrafast lattice response time of 230 fs is significantly shorter than the rate of several picoseconds that has been suggested before. In particular, optical pump-probe investigations of the photo-induced dynamics in Ti 3 C 2 T x have previously estimated an electronic response of 100–400 fs and a subsequent lattice heating within only 1–4 ps. Our data overturn this picture and directly show by real-space observation of the atomic dynamics that the lattice becomes hot within merely 230 fs after laser excitation. This value is, to our knowledge, the fastest reported Debye–Waller response of a simple crystal without a phase transition, i.e.…”
Section: Resultssupporting
confidence: 74%
“…We first discuss the femtosecond results and afterward the ripple formation. The observed ultrafast lattice response time of 230 fs is significantly shorter than the rate of several picoseconds that has been suggested before. In particular, optical pump-probe investigations of the photo-induced dynamics in Ti 3 C 2 T x have previously estimated an electronic response of 100–400 fs and a subsequent lattice heating within only 1–4 ps. Our data overturn this picture and directly show by real-space observation of the atomic dynamics that the lattice becomes hot within merely 230 fs after laser excitation. This value is, to our knowledge, the fastest reported Debye–Waller response of a simple crystal without a phase transition, i.e.…”
Section: Resultssupporting
confidence: 74%
“…Besides, the thermal dissipation of oxidized MXenes has been studied using MD simulation. 27 In addition, there are many reports of the mechanical properties of terminated MXenes obtained from DFT data 25,[28][29][30][31][32][33][34][35] which included the influence of functional groups on the mechanical properties of MXenes. Although first-principles studies are accurate and powerful, the information they can provide is not sufficient due to the size limit.…”
Section: Introductionmentioning
confidence: 99%
“…Many surface ligand optimization strategies have been tried to solve these problems, such as ligand passivation and surface coating. Among these, laser treatment seems to be an excellent solution to help passivate the surface ligands. Considering perovskite’s adjustable properties, it is feasible to regulate their properties via laser irradiation. , In a comparison of the influence of laser irradiation and perovskite, laser irradiation can accelerate degradation, , repair defects, induce phase separation, promote phase transition, and change the size and morphology of the perovskite . In recent years, with the development of laser-induced perovskite crystallization technology, laser direct writing, which can spatially precisely process perovskite materials by moving the laser focus position, has attracted the attention of numerous scientists.…”
Section: Introductionmentioning
confidence: 99%
“…23,24 In a comparison of the influence of laser irradiation and perovskite, laser irradiation can accelerate degradation, 25,26 repair defects, 27 induce phase separation, 28 promote phase transition, 29 and change the size and morphology of the perovskite. 30 In recent years, with the development of laser-induced perovskite crystallization technology, laser direct writing, which can spatially precisely process perovskite materials by moving the laser focus position, has attracted the attention of numerous scientists. There are many advantages to laser direct writing compared with other traditional techniques: the patterned structure does not need to be obtained by external lithography; 31,32 the size and shape of the perovskite NC film can be determined easily; 33,34 the cost is greatly reduced.…”
Section: ■ Introductionmentioning
confidence: 99%