Related Experiment Video
Updated: Feb 27, 2026
06:53
Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
Published on: June 9, 2023
2.8K
Fast Mg2+ diffusion in Mo3(PO4)3O for Mg batteries
Ziqin Rong1, Penghao Xiao2, Miao Liu2
1Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.
Chemical Communications (Cambridge, England)
|July 1, 2017
Summary
Researchers discovered Mo3(PO4)3O, a novel cathode material for magnesium (Mg) batteries. This material shows exceptionally fast Mg2+ ion diffusion and high voltage, potentially revolutionizing battery technology.
Area of Science:
- Materials Science
- Electrochemistry
- Computational Chemistry
Background:
- Magnesium (Mg) batteries are a promising alternative to lithium-ion batteries due to Mg's abundance and safety.
- Developing high-performance cathode materials with excellent Mg2+ ion mobility is crucial for advancing Mg battery technology.
Purpose of the Study:
- To identify and computationally evaluate new cathode materials for Mg batteries.
- To investigate the potential of Mo3(PO4)3O as a high-performance Mg battery cathode.
Main Methods:
- First-principles density functional theory (DFT) calculations.
- Nudged elastic band (NEB) calculations for migration barrier analysis.
- Ab initio molecular dynamics (AIMD) and kinetic Monte Carlo (kMC) simulations.
Main Results:
- Identified Mo3(PO4)3O as a potential Mg battery cathode material.
- Predicted ultra-fast Mg2+ diffusion with a remarkably low migration barrier of ~80 meV.
- Calculated a high voltage of ~1.98 V and specific energy of ~173 Wh kg-1.
Conclusions:
- Mo3(PO4)3O exhibits exceptional Mg2+ mobility, comparable to leading Li-ion conductors.
- The predicted performance suggests Mo3(PO4)3O could be a leading inorganic compound for Mg-ion mobility.
- Experimental validation is needed to confirm the potential of this novel cathode material.
Related Concept Videos
02:48Ionic Bonding and Electron Transfer
51.5K
Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions.
51.5K
03:24Common Ion Effect
47.4K
Compared with pure water, the solubility of an ionic compound is less in aqueous solutions containing a common ion (one also produced by dissolution of the ionic compound). This is an example of a phenomenon known as the common ion effect, which is a consequence of the law of mass action that may be explained using Le Châtelier’s principle. Consider the dissolution of silver iodide:
47.4K
03:46Qualitative Analysis
26.2K
For solutions containing mixtures of different cations, the identity of each cation can be determined by qualitative analysis. This technique involves a series of selective precipitations with different chemical reagents, each reaction producing a characteristic precipitate for a specific group of cations. Metal ions within a group are further separated by varying the pH, heating the mixture to redissolve a precipitate, or adding other reagents to form complex ions.
For instance, group IV...
For instance, group IV...
26.2K
01:25MOS Capacitor
1.7K
A Metal-Oxide-Semiconductor (MOS) capacitor is a fundamental structure used extensively in semiconductor device technology, particularly in the fabrication of integrated circuits and MOSFETs (metal-oxide-semiconductor field-effect transistors). The MOS capacitor consists of three layers: a metal gate, a dielectric oxide, and a semiconductor substrate.
The metal gate is typically made from highly conductive materials such as aluminum or polysilicon. Beneath the metal gate lies a thin layer of...
The metal gate is typically made from highly conductive materials such as aluminum or polysilicon. Beneath the metal gate lies a thin layer of...
1.7K
03:12Batteries and Fuel Cells
31.4K
A battery is a galvanic cell that is used as a source of electrical power for specific applications. Modern batteries exist in a multitude of forms to accommodate various applications, from tiny button batteries such as those that power wristwatches to the very large batteries used to supply backup energy to municipal power grids. Some batteries are designed for single-use applications and cannot be recharged (primary cells), while others are based on conveniently reversible cell reactions that...
31.4K
03:45Formation of Complex Ions
26.4K
A type of Lewis acid-base chemistry involves the formation of a complex ion (or a coordination complex) comprising a central atom, typically a transition metal cation, surrounded by ions or molecules called ligands. These ligands can be neutral molecules like H2O or NH3, or ions such as CN− or OH−. Often, the ligands act as Lewis bases, donating a pair of electrons to the central atom. These types of Lewis acid-base reactions are examples of a broad subdiscipline called coordination...
26.4K