This is an advanced module that aims to introduce the student to modern spectroscopic techniques and their applications in materials characterisation. Emphasis is given to those techniques, which are currently most important to chemical research both in industry and academia. The students should be able to understand the basic physical principles of these techniques and to decide which combination of techniques is best employed to tackle a particular problem of materials characterisation.

The module will deal in-depth with

- vibrational spectroscopies (infrared reflection absorption, attenuated total internal reflection and surface enhanced Raman) and electronic spectroscopies (X-Ray photoelectron spectroscopy and near-edge X ray absorption fine structure) and their application to the study of molecules at surfaces relevant to materials characterisation, heterogenous catalysis and nanoscience. For each technique, we will focus on how it can determine the identity, quanti ty, adsorption site and orientation of a molecule at an interface.

(LO1) By the end of the module, successful students should have gained an in-depth understanding of a range of advanced spectroscopies and be able to explain the physical principles of these spectroscopies, analyse spectra and be able to discuss their suitability to address certain problems of materials characterisation.

(LO2) Successful students should be able to explain surface vibrational spectroscopy (infrared absorption and surface-enhanced Raman spectroscopy), interpret spectra and apply selection rules to determine the orientation of molecules at surfaces.

(LO3) Successful students should be able to explain electronic spectroscopies (XPS and NEXAFS), interpret spectra and deduce surface chemical composition and molecular orientation based on quantitative and qualitative analysis

(LO4) Successful students should be able to critically compare different methods of spectroscopy and their suitability to tackle a particular problem in materials characterisation

(LO5) Successful students should be able to critically evaluate the use of spectroscopy to support scientific conclusions based on literature

(S1) Critical thinking and problem solving - Critical analysis

(S2) Numeracy/computational skills - Problem solving

(S3) Information skills - Critical reading

This module consists of a range of short online lectures, quizzes, discussion boards, face-to-face tutorial sessions and an online workshop.

The 2 hour workshop on spectral analysis is used to bridge the gap between assessment-style and real-world problems - the students will use CasaXPS (the standard software for analysing XPS spectra) to analyse a given data set.

The continually assessed work is split into 3 sets of questions that will be set during the Semester and assessed, to count 20% of the final mark. Solutions and common mistakes will be discussed during tutorials and general feedback given to the whole class.

The final exam is open book and involves questions based on selected scientific publications which range from understanding of the underlying spectroscopic principles to a critical evaluation of the results presented.

1. Vibrational Spectroscopies (6 hours)

- infrared spectroscopy

- surface enhanced Raman spectroscopy

2. Electronic spectroscopies (4 hours)

- Near-edge X-ray absorption fine structure NEXAFS

3. Data analysis workshop (ca 2 hours)

4. Critical Evaluation of Spectroscopy Literature (1.5 hours)