Crystal Chemistry

Syllabus

Structure types of Solids

• Metals and Nonmetals
• Binary compounds: ΑΒ, ΑΒ2, ΑΒ3, Α2Β3, ΑxBy
• Ternary compounds: ΑΒΧ2, ΑΒΧ3, ΑΒ3, ΑΒ2Χ4, Α2ΒΧ4, ΑB2Χ2
• Intermetallics and Zintl Phases
• Modular compounds: Polytypes, Homologous series and misfit layered compounds

Band structure (based on R. Hoffmann review)

• Contructing “Spaghetti” diagrams starting from molecular orbitals.
• Electronic instability(Peierls distortion, Jahn-Teller effect)
• Density of states, band folding, direct and indirect bandgap
• Quantum confinement: Low-dimensional materials, Quantum wells, Quantum wires, Quantum dots

Non-Stoichiometry and Defects in Crystals

• Nonstoichiometry and diffusion. Thermal quenching, sintering, and annealing.
• Phase diagrams, eutectics, spinodal decomposition and solid solutions.
• Phase transitions. Phase transitions in inorganic solids, crystals and amorphous solids.

Synthesis methods

• Solid-state synthesis, wet synthesis, solvothermal synthesis
• Crystal Growth
• Growth from melts, solutions and vapor transport.
• Structural characterization.
• Structure determination from single-crystals and crystalline powders.
• Characterization of amorphous solids (Pair Distribution Functions (PDF)).

Applications of Inorganic Compounds in Modern Era Technology

Inorganic Semiconductors in Optoelectronics

Photodiodes in Photovoltaics, Detectors and LEDs

Porous Materials

Gas Separation and Catalysis

Hydrogen Technology

Production, Storage and Reactivity

Energy Storage

Solid State Batteries

Learning Outcomes

The course discusses the study of inorganic crystalline solids. The crystal structures of the elements, binary, ternary and modular compounds is presented. Correlation between electronic structure and crystal structure using the LCAO approach. Defects in crystals and how those affect the physical properties of the solids (semiconductors, scintillators, transparent conducting oxides, etc.). Methods of crystal growth and structural characterization with X-ray diffraction. Modern technological applications of inorganic materials. The main educational goals that the students will achieve upon completion of the course include:

The structure of solids

Description and classifications of crystals through polyhedral representations of inorganic crystal structures.

Band structure

Electronic structure derived from crystal structure. Structure-property relations.

Non-stoichiometry and defects in crystals

Manipulation and control of the physical properties of solids.

Synthetic methods and characterization in inorganic solids

Crystal Growth of single-crystals, polycrystalline and amorphous solids.

Application of Inorganic compounds in technology

Recommended Bibliography

1. Ulrich Müller, «Inorganic Structural Chemistry», 2nd Edition, Wiley 2006.
2. Alexander F. Wells, «Structural Inorganic Chemistry», 5th Edition, Oxford University Press 1984.
3. Roald Hoffmann, «How Chemistry and Physics Meet in the Solid State», Angew. Chem. Int. Ed. Engl. (1987) 846-878
4. Anthony R. West. «Solid State Chemistry and Its Applications», 2nd Edition, Wiley 2014.
5. Richard J. D. Tiley, «Defects in Solids», Wiley 2008.
6. Giovanni Ferraris, Emil Mackovicky, Stefano, Merlino, «Crystallography of Modular Materials», IUCr 2004.
7. Erwin Parthé «Crystal Chemistry of Tetrahedral Structures» CRC Press 1964.

Related Scientific Journals

• Chemistry of Materials
• Materials Horizons
• Nature Materials
• Advanced Materials
• Journal of Solid State Chemistry