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Complex Inorganic and Hybrid Materials (B-KUL-G0D30A)

3 ECTSEnglish20 Second termCannot be taken as part of an examination contract
Van Cleuvenbergen Stijn (coordinator) |  Escudero Masa Daniel |  N. |  Van Cleuvenbergen Stijn (substitute) |  Debroye Elke (substitute)
POC Chemie

Aims

The students can interprete the different representations of the 3 dimensional structure of complex inorganic and hybrid materials with potential for catalysis and energy conversion and storage such as perovskites, complex chalcogenides (CIS), metal organic frameworks, zeolites.
They understand the different models to describe their electronic band structure (e.g. tight binding, nearly free electron model & Bloch functions) and they can predict how the latter is influenced by the composition and morphology.
They can evaluate the merits and limits of different methods for the determination of structure and morphology) (X-Ray, TEM, SEM, SPM).
They understand the solution based chemical methods (reaction mechanisms, physical phenomena) to prepare those materials with the proper morphology and surface structure and can predict how changing reaction conditions can modify their composition (doping), morphology (dimensionality, size and shape, density of defects, porosity, crystalline or amorphous) and surface coverage.
They can connect composition and morphology to the band structure and to optical (direct and indirect band gap transitions, Wannier excitons), electrical (carrier density and mobility, oxidation and reduction) and magnetic properties (where relevant).
They can connect composition and morphology to their catalytic properties (where relevant).
For the different types of materials they understand and can evaluate practical application for energy conversion, storage and catalysis.

Previous knowledge

Basic quantum chemistry, free electron model, basic knowledge of material chemistry, advanced knowledge of inorganic chemistry, basic knowledge of XRD and related methods, basic knowledge of spectroscopy.

Is included in these courses of study

Activities

3 ects. Complex Inorganic and Hybrid Materials: Lectures (B-KUL-G0D30a)

3 ECTSEnglishFormat: Lecture20 Second term
Escudero Masa Daniel |  N. |  Van Cleuvenbergen Stijn (substitute) |  Debroye Elke (substitute)
POC Chemie

Content

The course focusses on the understanding of solution based methods to prepare these structures and on the links between reaction conditions, morphology, electronic structure, and electro-optical and catalytic properties rather than their applications

1          Electronic structure, electrical and optical properties of inorganic solids
-           Nearly Free Electron Model and Bloch functions
-           Tight Binding Approximation
-           Surface states and defects
-           Effective mass of charge carriers
-           Direct and indirect band gap transitions
-           Free carriers and excitons, exciton radius
-           Consequences of confinement
-           Carrier mobility
-           Crystalline versus amorphous materials
-           Superconductivity

2          Crystallization
-           Kinetics and thermodynamics of crystallization (nucleation, growth, Ostwald ripening)
-           Tuning of morphology by surface binding additives
-           Tuning the defect density

3          Point defects and non-stoichiometry
-           Defect types
-           Origin  of intrinsic crystalline defects
-           Point defects
-           Non-stoichiometry
-           Extended defects

4          Structure, synthesis and opto-electrical properties of small noble metal clusters

5          Structure, synthesis and opto-electrical properties of perovskites

6          Structure, synthesis and opto-electrical properties of complex sulfides (CIS and related materials for solar energy conversion)

7          Structure, synthesis and electrical properties of complex oxides for energy storage devices ergy storage devices

8          Structure, synthesis and electrical and magnetic properties of high temperature superconductors

9          Structure, synthesis and opto-electrical and catalytic properties of metal organic frameworks

10        Structure, synthesis and catalytic properties of zeolites

Course material

Course slides (with voice over) and selected papers, copies of parts of books made available on Toledo or as hard copy.

Evaluation

Evaluation: Complex Inorganic and Hybrid Materials (B-KUL-G2D30a)

Type : Continuous assessment without exam during the examination period
Description of evaluation : Paper/Project, Report
Type of questions : Open questions, Closed questions
Learning material : Course material, Calculator, Computer, Reference work

Explanation


At the end of each lecture or section of the course the students get a number of take home problems. They are expected to deliver their solutions beginning of June. For each problem all or part of the assigned points can be given. Then the points are simply added to arrive at a final score. The number of points per problem can depend upon the complexity of the problem.

Plagiarism will be reported to the proper authorities

 

Information about retaking exams

Oral examination with written preparation.
The exam will be an open book exam where the use of calculator and course material as well as other books will be allowed. use of a labtop, tablet and similarr items is not allowed
The points for each question will simply be added.