The Critical Role of Ionic Liquid Crystal on Mg2+ Ion Transport Properties in Magnesium Ion Batteries; Performance and Mechanism Approach

Halide perovskites have undergone remarkable developments as highly efficient optoelectronic materials for a variety of applications. Several studies indicated the critical role of defects on the performance of perovskite devices. However, the parameters of defects and their interplay with free charge carriers remain unclear. In this study, we explored the dynamics of free holes in methylammonium lead tribromide (MAPbBr3) single crystals using the time-of-flight (ToF) current spectroscopy. By combining ToF spectroscopy and Monte Carlo simulation, three energy states were detected in the bandgap of MAPbBr3. In addition, we found the trapping and detrapping rates of free holes ranging from a few microseconds to hundreds of microseconds. Contrary to previous studies, we revealed a strong detrapping activity of traps. We showed that these traps substantially affect the transport properties of MAPbBr3, including mobility and mobility-lifetime product. Our results provide an insight on charge transport properties of perovskite semiconductors.

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Room temperature structure and transport properties of the incommensurate modulated LaNb0.88W0.12O4.06

Dalton Transactions ◽

10.1039/c8dt03958e ◽

2019 ◽

Vol 48 (5) ◽

pp. 1633-1646 ◽

Cited By ~ 3

Author(s):

Cheng Li ◽

Stevin S. Pramana ◽

Stephen J. Skinner

Keyword(s):

Ion Transport ◽

Transport Properties ◽

Room Temperature ◽

Cation Ordering ◽

Temperature Structure ◽

Complex Structures ◽

Ion Conducting ◽

Oxide Ion

Cation ordering in the modulated La(Nb,W)O4+d phases has been demonstrated and the role of W in inducing occupancy modulation to this phase discussed. This is linked with the oxide ion transport, highlighting that modulated complex structures are viable candidates for ion conducting applications.

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Accurate prediction of the structure and vibrational spectra of ionic liquid clusters with the generalized energy-based fragmentation approach: critical role of ion-pair-based fragmentation

Physical Chemistry Chemical Physics ◽

10.1039/c8cp00513c ◽

2018 ◽

Vol 20 (19) ◽

pp. 13547-13557 ◽

Cited By ~ 8

Author(s):

Yunzhi Li ◽

Dandan Yuan ◽

Qingchun Wang ◽

Wei Li ◽

Shuhua Li

Keyword(s):

Ionic Liquid ◽

Ab Initio ◽

Vibrational Spectra ◽

Critical Role ◽

Ion Pair ◽

Accurate Prediction ◽

Liquid Clusters

The GEBF method with the ion-pair-based fragmentation has been developed to facilitate ab initio calculations of general ionic liquid clusters.

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Effective influences of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide (EMIMTFSI) ionic liquid on the ion transport properties of micro-porous zinc-ion conducting poly (vinyl chloride) /poly (ethyl methacrylate) blend-based polymer electrolytes

Journal of Polymer Research ◽

10.1007/s10965-016-1043-0 ◽

2016 ◽

Vol 23 (7) ◽

Cited By ~ 13

Author(s):

C. M. Sai Prasanna ◽

S. Austin Suthanthiraraj

Keyword(s):

Ionic Liquid ◽

Ion Transport ◽

Transport Properties ◽

Vinyl Chloride ◽

Polymer Electrolytes ◽

Zinc Ion ◽

Ethyl Methacrylate ◽

Poly Vinyl Chloride ◽

Ion Conducting

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Preparation and ion transport properties of NaY zeolite–ionic liquid composites

Journal of Power Sources ◽

10.1016/j.jpowsour.2010.09.061 ◽

2011 ◽

Vol 196 (4) ◽

pp. 2202-2210 ◽

Cited By ~ 18

Author(s):

S. Ntais ◽

A.M. Moschovi ◽

F. Paloukis ◽

S. Neophytides ◽

V.N. Burganos ◽

...

Keyword(s):

Ionic Liquid ◽

Ion Transport ◽

Transport Properties ◽

Nay Zeolite

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Mg6MnO8 as a Magnesium-Ion Battery Material: Defects, Dopants and Mg-Ion Transport

Energies ◽

10.3390/en12173213 ◽

2019 ◽

Vol 12 (17) ◽

pp. 3213 ◽

Cited By ~ 5

Author(s):

Navaratnarajah Kuganathan ◽

Evangelos I. Gkanas ◽

Alexander Chroneos

Keyword(s):

Ion Transport ◽

High Performance ◽

Electrode Materials ◽

Three Dimensional ◽

Intrinsic Defect ◽

Magnesium Ion ◽

Ion Migration ◽

Solution Enthalpy ◽

Magnesium Ion Batteries ◽

Battery Material

Rechargeable magnesium ion batteries have recently received considerable attention as an alternative to Li- or Na-ion batteries. Understanding defects and ion transport is a key step in designing high performance electrode materials for Mg-ion batteries. Here we present a classical potential-based atomistic simulation study of defects, dopants and Mg-ion transport in Mg6MnO8. The formation of the Mg–Mn anti-site defect cluster is calculated to be the lowest energy process (1.73 eV/defect). The Mg Frenkel is calculated to be the second most favourable intrinsic defect and its formation energy is 2.84 eV/defect. A three-dimensional long-range Mg-ion migration path with overall activation energy of 0.82 eV is observed, suggesting that the diffusion of Mg-ions in this material is moderate. Substitutional doping of Ga on the Mn site can increase the capacity of this material in the form of Mg interstitials. The most energetically favourable isovalent dopant for Mg is found to be Fe. Interestingly, Si and Ge exhibit exoergic solution enthalpy for doping on the Mn site, requiring experimental verification.

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