Ion migration and defect effect of electrode materials in multivalent-ion batteries

2021 ◽  
pp. 100911
Author(s):  
Zhexuan Liu ◽  
Guozhao Fang ◽  
Liping Qin ◽  
Xinxin Cao ◽  
Jiang Zhou ◽  
...  
MRS Bulletin ◽  
2009 ◽  
Vol 34 (12) ◽  
pp. 942-948 ◽  
Author(s):  
Janko Jamnik ◽  
Miran Gaberscek

AbstractDuring the past decade, the electrochemical properties (energy density, power capability, and cycling stability) of practical lithium (Li) batteries have been enormously improved. Surprisingly, although the knowledge exists of how to prepare excellent batteries, a detailed understanding of how they actually work is still lacking. In particular, the impact of interfaces in electrode composites is poorly understood. Here, we collect the most advanced mechanistic studies performed in our laboratory or published in recent literature and try to embed this knowledge into the well-established concepts used in solid-state ionics for many decades. In particular, we focus on the so-called perpendicular and parallel interfacial effects. We show that much of the old wisdom can be applied to batteries, although there are several important differences. We discuss, in some detail, the effects of charge incorporation, electronic interphase contacting, electrode porosity, and heterogeneous doping in selected advanced electrode materials and emphasize the future perspectives.


Energies ◽  
2019 ◽  
Vol 12 (17) ◽  
pp. 3213 ◽  
Author(s):  
Navaratnarajah Kuganathan ◽  
Evangelos I. Gkanas ◽  
Alexander Chroneos

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.


2020 ◽  
Vol 20 (10) ◽  
pp. 6489-6494
Author(s):  
Batkhuyag Khorolsuren ◽  
Shenmin Lu ◽  
Chao Sun ◽  
Fang Jin ◽  
Wenqin Mo ◽  
...  

To study the substitutability of noble metal electrodes in memristors, the effect of Pt/HfO2/Ti structure on the replacement of noble metal electrode Pt by different electrodes was studied. Compared with the unsubstituted devices, the HfO2-based RRAM devices with TiN and TiOxNy electrodes devices showed good resistive switching performance and resistive switching mechanism under oxygen ion migration. Five devices were prepared, and their resistive switching mechanism under oxygen ion migration was investigated. Moreover, besides the resistive switching phenomenon of these RRAM devices, it was found that significant rectifying characteristics were exhibited in a highresistance state (HRS). This phenomenon can be explained by regulation of the Schottky barrier of the interface between the top electrode and the resistive layer, which can be influenced by the migration of oxygen vacancies.


Energies ◽  
2020 ◽  
Vol 13 (5) ◽  
pp. 1285 ◽  
Author(s):  
Navaratnarajah Kuganathan ◽  
Alexander Chroneos

Calcium (Ca)-bearing minerals are of interest for the design of electrode materials required for rechargeable Ca-ion batteries. Here we use classical simulations to examine defect, dopant and transport properties of CaFeSi2O6. The formation of Ca-iron (Fe) anti-site defects is found to be the lowest energy process (0.42 eV/defect). The Oxygen and Calcium Frenkel energies are 2.87 eV/defect and 4.96 eV/defect respectively suggesting that these defects are not significant especially the Ca Frenkel. Reaction energy for the loss of CaO via CaO Schottky is 2.97 eV/defect suggesting that this process requires moderate temperature. Calculated activation energy of Ca-ion migration in this material is high (>4 eV), inferring very slow ionic conductivity. However, we suggest a strategy to introduce additional Ca2+ ions in the lattice by doping trivalent dopants on the Si site in order to enhance the capacity and ion diffusion and it is calculated that Al3+ is the favourable dopant for this process. Formation of Ca vacancies required for the CaO Schottky can be facilitated by doping of gallium (Ga) on the Fe site. The electronic structures of favourable dopants were calculated using density functional theory (DFT).


2013 ◽  
Vol 284-287 ◽  
pp. 2543-2547
Author(s):  
Jian Yang Lin ◽  
Bing Xun Wang

In this paper, different silicon oxide-based films and electrode materials were deposited onto the W/Si substrates by sputtering to investigate the resistive switching characteristics of the conductive-bridging RAM cells via the ion migration. A room-temperature constant-voltage stressing has been used to examine its effects on the resistive switching behaviors of the RAM cells in this work. Our experimental results show that the constant-voltage stressing can effectively affect the current conduction behavior and stabilize the resistive switching of the memory cell. After the electrical stressing, the current conduction mechanism in the HRS during the set process of the Cu/Cu:SiO2/W cell can be changed from the Ohm’s law and the space charge limited conduction to the single Ohm’s law.


2020 ◽  
Vol 10 (18) ◽  
pp. 6266-6273
Author(s):  
Yalan Zhang ◽  
Zebin Yu ◽  
Ronghua Jiang ◽  
Jung Huang ◽  
Yanping Hou ◽  
...  

Excellent electrochemical water splitting with remarkable durability can provide a solution to satisfy the increasing global energy demand in which the electrode materials play an important role.


2019 ◽  
Vol 6 (3) ◽  
pp. 104-107
Author(s):  
Marina Vladimirovna Lebedeva ◽  
Alexey Petrovich Antropov ◽  
Alexander Victorovich Ragutkin ◽  
Nicolay Andreevich Yashtulov

In paper electrode materials with palladium nanoparticles on polymer matrix substrates for energy sources have been formed. Nanocomposites were investigated by atomic force and scanning electron microscopy. The catalytic activity of formed electrodes in the formic acid oxidation reaction was evaluated by voltammetry method.


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