Materials Design Rules for Multivalent Ion Mobility in Intercalation Structures

By Ziqin Rong, R. Malik, P. Canepa, G. Gautam, Mengxing Liu, Anubhav Jain, Kristin A. Persson, Gerbrand Ceder. 2015

507 citations recorded by the source corpus.

The diffusion of ions in solid materials plays an important role in many aspects of materials science such as the geological evolution of minerals, materials synthesis, and in device performance across several technologies. For example, the realization of multivalent (MV) batteries, which offer a realistic route to superseding the electrochemical performance of Li-ion batteries, hinges on the discovery of host materials that possess adequate mobility of the MV intercalant to support reasonable charge and discharge times. This has proven especially challenging, motivating the current investigation of ion mobility (Li+, Mg2+, Zn2+, Ca2+, and Al3+) in spinel Mn2O4, olivine FePO4, layered NiO2, and orthorhombic δ-V2O5. In this study, we not only quantitatively assess these structures as candidate cathode materials, but also isolate the chemical and structural descriptors that govern MV diffusion. Our finding that matching the intercalant site preference to the diffusion path topology of the host structure con...

Subfields: Electrical and Electronic Engineering, Polymers and Plastics

View Paper: https://www.semanticscholar.org/paper/94733d8593f21eb54b3c53ba32e151688cc1abcf

How researchers see this paper

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In Electrical and Electronic Engineering

1. Lien Mai
2. A. Ponrouch
3. Qinyou An
4. M. R. Palacín
5. J. Bitenc
6. Fangyu Xiong
7. Tao Chen
8. Guobin Zhang

In Polymers and Plastics

1. Tao Chen
2. Lien Mai
3. Jun Lu
4. Patrik Johansson

Citations in the corpus

• Emerging non-lithium ion batteries (2016, background): “Other rechargeable batteries based on multivalent metal ions (such as Mg2þ , Ca2þ , Zn2þ and Al3þ) could transfer more electrons in a single redox couple, hence possibly helpful to obtain high volumetric energy density that is desirable for portable devices [17,27,28].”
• An overview and prospective on Al and Al-ion battery technologies (2021, background): “The diffusion of multivalent cations suffers from poor kinetics due to the higher electrostatic interactions when compared to monovalent Liions [234].”