4 ECTS credits
120 h study time

Offer 1 with catalog number 4023294ENR for all students in the 2nd semester at a (E) Master - advanced level.

Semester
2nd semester
Enrollment based on exam contract
Impossible
Grading method
Grading (scale from 0 to 20)
Can retake in second session
Yes
Taught in
English
Partnership Agreement
Under interuniversity agreement for degree program
Faculty
Faculty of Sciences and Bioengineering Sciences
Department
Faculty of Sciences and Bioengineering Sciences
External partners
Universiteit Gent
Educational team
Decaan WE (course titular)
Activities and contact hours

22 contact hours Lecture
15 contact hours Seminar, Exercises or Practicals
Course Content

Structure determination by X-ray diffraction and structure solving/refining is the main goal of this course. A practical oriented course will be provided in which students learn how to understand, evaluate and extract all possible structural information from a diffraction pattern. Indexation, crystal parameters, powder diffraction, quantitative analysis, single crystal X-ray diffraction and texture analysis of thin films will be covered.

 

Contents

 

1 Powder diffraction

1 • data collection

1 • • Sample preparation

1 • • Diffractometer settings

1 • Structure refinement from powder diffraction

1 • • Indexing

1 • • cell parameters

1 • • qualitative and quantitative analysis

1 • Refinement

 

2 Advanced X-ray techniques: pair-distribution function, GISAXS, WAXS, SAXS

 

3 Single crystal X-ray diffraction

1 • Crystallization procedures

1• Theory and practice

1 • Data collection and processing

1 • Crystallography of small molecules

1 • • Direct methods

1 • • Patterson

1 • • Absolute configuration

1 • Crystallography of (bio)macromolecules

1 • • The phase problem

1 • • Molecular replacement

1 • • Anomalous scattering

   • Structure refinement and model building

1 • Structural databases

1 • • CSD, PDB/NDB

1 • • Structure validation

 

4 Texture analysis of thin films

  • Introduction on the importance of thin layers
  • Definitions related to X-ray diffraction of thin layers

1 • • Texture

1 • • Epitaxy

1 • • Substrate

1 • • Roughness

1 • • Micro structure

  • X-ray diffractiontechniques

• • Bragg-Brentano

   • rocking curves

   • glancing angle

   • grazing incidence

1 • • texture analysis (Pole figures)

  • X-ray reflectometry/GISAXS
  •  

1 • • EBSD

     • RHEED

     • LEED

  • X-ray diffraction for stressanalysis
Additional info

Students have a background in mathematics for chemists, basic physics, structural analysis. and materials chemistry

he slides will be posted via Minerva + references to English handbooks

Learning Outcomes

general competencies

The students must be able to analyze in detail and discuss an X-ray diffraction pattern -

manually and using databases and software packages

Grading

The final grade is composed based on the following categories:
Other Exam determines 100% of the final mark.

Within the Other Exam category, the following assignments need to be completed:

  • exam with a relative weight of 100 which comprises 100% of the final mark.

Additional info regarding evaluation

Periodic evaluation (80%) + permanent evaluation (20%)

Allowed unsatisfactory mark
The supplementary Teaching and Examination Regulations of your faculty stipulate whether an allowed unsatisfactory mark for this programme unit is permitted.

Academic context

This offer is part of the following study plans:
Master of Chemistry: Analytical and Environmental Chemistry