Imperfect crystals, complementarity with XRPD
6 - 8 December, 2022 - Mainz, Germany
Info
On December 6.12.-8.12.2022, the Workshop II of the NanED project was held at the site of one of the beneficiaries, Center for high-resolution electron Microscopy (EMZ-M), Department Chemie, Johannes Gutenberg University, Mainz, Germany.
The purpose of the meeting was the introduction to X-ray powder diffraction technique, as it is a complementary technique to 3DED and necessary for the students in their project work. As a second important topic, the workshop covered Intellectual properties and the basics of patents. Apart from the students of the NanED and NanED partners, several external students joined the workshop.

The meeting comprised three significant topics: basic understanding of X-ray powder diffraction, Intellectual properties, and diffuse scattering. For the first block, “basics of X-ray powder diffraction”, four experts have been invited (one NanED partner (Elettra Sincrotrone Trieste) and three external speakers), which covered technical and theoretical aspects as well as hands-on training for analysis software. The talk on intellectual properties and patents was provided by another NanED partner (BASF) and held on the first day. On the next day, more specialised X-ray powder diffraction topics, provided by three external speakers, covered pharmaceuticals in the industry and the analysis of disorders in organics and inorganics.
All ESRs presented their work at the workshop, and those attending online shared their progress in ten-minute presentations.
In addition to these lectures, it was essential to allow the theoretically gained knowledge to be applied hands-on. The group was split in two for days 1 and 2 to provide optimum teaching conditions. One group attended the tutorial for X-ray powder diffraction analysis software. In contrast, the second group visited the EMZ-M to get a tutorial on FAST-ADT, including electron beam precession and vice versa. The programs were distributed and installed before the workshop to allow the students to use their computers and solve practical problems. The third day was dedicated to three-dimensional electron diffraction (3DED) on disordered material. Two external speakers and one NanED speaker provided a deep insight into state of the art in analysing pair distribution function (PDF) using X-ray powder diffraction and 3D-PDF. Hands-on tutorials complemented the lectures. Most of the tutorials and lectures were recorded and will be made accessible to the NanED consortium and external people through the NanED website.
Agenda
Day one - Tuesday, December 6, 2022
Time | Event/Speaker | Description |
---|---|---|
Time:
08:30 - 09:00
|
Event/Speaker:
Ute Kolb, University Mainz
|
Description:
Welcome and introduction
|
Time:
09:00 - 09:30
|
Event/Speaker:
Nicolas Barrier, CNRS Caen
|
Description:
XRPD measurement techniques
|
Time:
09:30 - 10:00
|
Event/Speaker:
Jasper Plaisier, Elettra Sincrotrone Trieste
|
Description:
XRPD on synchrotron sites
|
Time:
10:00 - 10:30
|
Event/Speaker:
BREAK
| |
Time:
10:30 - 11:15
|
Event/Speaker:
XRPD structure solution and refinement strategies
|
Description:
Robert Dinnebier, MPI Stuttgart
|
Time:
11:15 - 11:45
|
Event/Speaker:
Intellectual properties and patent in science
|
Description:
Tina Einfeld, BASF, Ludwigshafen
|
Time:
12:00 - 13:00
|
Event/Speaker:
LUNCH
| |
Time:
13:00 - 14:30 |
Event/Speaker:
Student presentations I (7*10min) |
Description:
|
Time:
14:30 - 18:00
|
Event/Speaker:
Practical sessions (two groups in parallel)
|
Description:
|
Videos
XRPD measurement techniques
XRPD on synchrotron sites
Intellectual properties and patent in science
Day two - Wednesday, December 7, 2022
Time | Event/Speaker | Description |
---|---|---|
Time:
08:30 - 09:00
|
Event/Speaker:
Norbert Nagel, AbbVie, Ludwigshafen
|
Description:
XRPD – on pharmaceuticals
|
Time:
09:00 - 09:30
|
Event/Speaker:
XRPD – Refinement of disordered inorganics
|
Description:
Sebastian Bette, MPI Stuttgart
|
Time:
09:30 - 10:00
|
Event/Speaker:
XRPD – challenging organic disordered structures
|
Description:
Martin U. Schmidt, Frankfurt
|
Time:
10:00 - 10:30
|
Event/Speaker:
BREAK
| |
Time:
10:30 - 11:15
|
Event/Speaker:
The nature of total scattering – theoretical aspects
|
Description:
Jan Pieter Abrahams, PSI, Basel
|
Time:
11:15 - 11:45
|
Event/Speaker:
Precession and quasi-parallel ED
|
Description:
Sergi Plana Ruiz, Tarragona
|
Time:
12:00 - 13:00
|
Event/Speaker:
LUNCH
| |
Time:
13:00 - 14:30 |
Event/Speaker:
Students’ presentations II (7*10min) |
Description:
|
Time:
14:30 - 18:00 |
Event/Speaker:
Practical sessions (two groups in parallel) |
Description:
|
Time:
14:30 - 17:30
|
Event/Speaker:
Short demonstration of the experimental setup at FZU in small groups
| |
Time:
19:00
|
Event/Speaker:
Workshop Dinner
|
Videos
XRPD – on pharmaceuticals
XRPD – Refinement of disordered inorganics
XRPD – challenging organic disordered structures
The nature of total scattering – theoretical aspects
Precession and quasi-parallel ED
Day three - Thursday, December 8, 2022
Time | Event/Speaker | Description | Link |
---|---|---|---|
Time:
08:00 - 08:45
|
Event/Speaker:
Pair distribution function PDF
|
Description:
Reinhard Neder, University Erlangen
| |
Time:
08:45 - 09:30
|
Event/Speaker:
Introduction to 3D-PDF
|
Description:
Ella Schmidt, University Bremen
| Presentation |
Time:
09:30 - 10:00
|
Event/Speaker:
Defect structures investigated with 3DED
|
Description:
Ute Kolb, University Mainz
| Presentation |
Time:
10:00 - 10:30
|
Event/Speaker:
BREAK
| ||
Time:
10:30 - 12:00
|
Event/Speaker:
DISCUS Basics and 1D-PDF
|
Description:
Reinhard Neder/Ella Schmidt
| |
Time:
12:00 - 13:00
|
Event/Speaker:
LUNCH
| ||
Time:
14:30 - 16:00
|
Event/Speaker:
DISCUS 3D-PDF
|
Description:
Reinhard Neder/Ella Schmidt
| |
Time:
16:00
|
Event/Speaker:
Wrap up and free discussions
|
Videos
Pair distribution function PDF
Introduction to 3D-PDF
Defect structures investigated with 3DED