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Ionic Crystal Structures

Ionic Crystal Structures

Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...

Crystal Field Theory - Octahedral Complexes

Crystal Field Theory - Octahedral Complexes

Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...

Formation of Complex Ions

Formation of Complex Ions

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...

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...

Valence Bond Theory

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...

Valence Bond Theory

Valence Bond Theory

Overview of Valence Bond Theory

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Related Experiment Video

Updated: Dec 26, 2025

Tuning Oxide Properties by Oxygen Vacancy Control During Growth and Annealing

Tuning Oxide Properties by Oxygen Vacancy Control During Growth and Annealing

Published on: June 9, 2023

Colossal oxygen vacancy formation at a fluorite-bixbyite interface.

Dongkyu Lee^1,2, Xiang Gao^1,3, Lixin Sun⁴

¹Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA.

Nature Communications

|March 15, 2020

Summary

This study introduces an oxide nanobrush architecture to create high-density interfacial oxygen vacancies. This method precisely controls oxygen vacancies for advanced energy and neuromorphic computing technologies.

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Published on: June 24, 2018

Area of Science:

Materials Science
Solid State Chemistry
Nanotechnology

Background:

Oxygen vacancies in complex oxides are crucial for information and energy applications.
Existing methods for creating oxygen vacancies primarily focus on bulk materials.
The potential of ionic interfaces for generating oxygen vacancies remains underexplored.

Purpose of the Study:

To explore the use of ionic interfaces for creating oxygen vacancies.
To design and investigate an oxide nanobrush architecture for high-density interfacial oxygen vacancies.
To demonstrate the application of such interfaces in advanced electronic devices.

Main Methods:

Fabrication of an oxide nanobrush architecture with a (111) heterointerface between fluorite CeO2 and bixbyite Y2O3.
Utilizing local structure and chemical analyses.
Performing theoretical calculations to understand defect formation and properties.

Main Results:

A well-defined heterointerface between CeO2 and Y2O3 was created.
Charge modulation between Y3+ and Ce4+ ions was observed due to valence mismatch.
Spontaneous removal of over 10% of oxygen atoms occurred without lattice degradation.
High-density interfacial oxygen vacancies were successfully generated.

Conclusions:

The oxide nanobrush architecture effectively creates high-density interfacial oxygen vacancies.
This platform enables precise control and transport of oxygen vacancies.
The findings are critical for developing ionotronic and memristive devices for energy and neuromorphic computing.