CH3SS2: Solid State Chemistry

Module code: CH3SS2

Module provider: Chemistry; School of Chemistry, Food and Pharmacy

Credits: 20

Level: Level 3 (Honours)

When you'll be taught: Semester 2

Module convenor: Professor Ann Chippindale, email: a.m.chippindale@reading.ac.uk

Pre-requisite module(s): BEFORE TAKING THIS MODULE YOU MUST TAKE CH1IN1 AND TAKE CH2IN1 (Compulsory)

Co-requisite module(s):

Pre-requisite or Co-requisite module(s):

Module(s) excluded:

Placement information: NA

Academic year: 2024/5

Available to visiting students: Yes

Talis reading list: Yes

Last updated: 21 May 2024

Overview

Module aims and purpose

In this optional module, you will learn about important aspects of solid-state chemistry including applications in energy (battery, fuel cell) and sensor technologies, as well as in heterogeneous catalysis and molecular sieving and gas storage. These useful physical and chemical properties of solids often relate directly to their crystal structures and you will learn how X-ray and neutron diffraction techniques are employed to determine these structures. Information will be delivered through in-person lectures, supported by workshops and online quizzes, and there will be hands-on experience of searching crystallographic databases to extract relevant structural information.

Module learning outcomes

By the end of the module, it is expected that students will be able to: 

1. Demonstrate critical understanding of the theory, principles and concepts of solid-state chemistry, crystallography and diffraction. 
2. Interpret diffraction data and use crystallographic databases to extract meaningful structural information. 
3. Propose suitable methods for synthesising previously unseen solid-state compounds. 
4. Apply their knowledge of the relationship between structure and properties in the solid state to rationalise the behaviour of technologically important materials. 

Module content

Fundamentals of Diffraction (5 lectures + 1 x 1-hour workshop + 1-hour revision workshop):  

Structures of simple crystalline solids. Symmetry in Crystallography, Space groups, The Bragg Equation, The reciprocal lattice, Intensities in Diffraction Patterns, Introduction to structure determination using Single-crystal X-ray diffraction, Crystallographic case studies,  
 
Powder Diffraction Methods (5 lectures + 2 x 1-hour workshops + 1-hour revision workshop): 
Revision of projection and perspective diagrams of crystal structures, Powder X-ray diffraction, Uses in qualitative analysis, Indexing of powder X-ray diffraction patterns and lattice-parameter determination, Peak intensities and relationship to structure factors, Use of the Scherrer equation to determine particle size from peak widths, Rietveld method for structural-model refinement, Fractional coordinates. 
Neutron Diffraction Techniques, Comparisons between neutron and X-ray powder diffraction methods. 

Crystallographic Databases in Analytical Chemistry (4 lectures + 4 x 1-hour workshops): Structural information obtainable from crystallographic databases, Search techniques for data mining using the Cambridge Crystallographic Database (CSD), the Inorganic Chemistry Structural Database (ICSD) and Crystalworks. There will be 4 hours of computer-based practical involving database searching to illustrate features of the course, together with assessed problems (formative and summative).  

Solid-State Chemistry (10 lectures + 2 x 1-hour workshop + 1-hour revision workshop): 

The preparation of solids using high- and low- temperature methods, Intercalation chemistry. Simple extended structures and polyhedral representations of structural building blocks, Use of projections, The determination of coordination numbers, coordination geometries and calculation of bond lengths, Applications of these concepts to the structures of high-temperature copper-oxide-based superconductors.  

Electronic properties of solids, Metallic, semimetallic, semiconductor and insulator behaviours explained using simple band theory, Temperature dependence of electronic conductivity, Applications in batteries and electrochromic windows.  

Point defects in solids (Frenkel and Schottky), Ionic conductivity in solids. Uses of fast-ion conductors as solid electrolytes in batteries and as oxygen sensors. 

The structures, properties and commercial uses of aluminosilicate zeolites. 

Structure

Teaching and learning methods

Module content information will be disseminated through in-person lectures. These will be accompanied by 5 hours of formative workshops (compulsory) to practice and reinforce the topics covered in the lectures. In addition, there will be 4 computer-based practical workshops where students will learn to extract structural information from a range of crystallographic databases.  

As an introduction to the database searching, students will be given a number of formative searching tasks for practice and confidence building. These will be checked by the lecturer during the session before the students proceed to tackle the summative, assessed problems. There will also be three revision workshops at the end of the lecture series in preparation for the written exam. 

Additional worked examples and quizzes are available online to aid self-study. 

Study hours

At least 36 hours of scheduled teaching and learning activities will be delivered in person, with the remaining hours for scheduled and self-scheduled teaching and learning activities delivered either in person or online. You will receive further details about how these hours will be delivered before the start of the module.

Please note the independent study hours above are notional numbers of hours; each student will approach studying in different ways. We would advise you to reflect on your learning and the number of hours you are allocating to these tasks.

Semester 1 The hours in this column may include hours during the Christmas holiday period.

Semester 2 The hours in this column may include hours during the Easter holiday period.

Summer The hours in this column will take place during the summer holidays and may be at the start and/or end of the module.

Assessment

Requirements for a pass

Students need to achieve an overall module mark of 40% to pass this module.

Summative assessment

Penalties for late submission of summative assessment

The Support Centres will apply the following penalties for work submitted late:

Assessments with numerical marks

• where the piece of work is submitted after the original deadline (or any formally agreed extension to the deadline): 10% of the total marks available for that piece of work will be deducted from the mark for each working day (or part thereof) following the deadline up to a total of three working days;
• the mark awarded due to the imposition of the penalty shall not fall below the threshold pass mark, namely 40% in the case of modules at Levels 4-6 (i.e. undergraduate modules for Parts 1-3) and 50% in the case of Level 7 modules offered as part of an Integrated Masters or taught postgraduate degree programme;
• where the piece of work is awarded a mark below the threshold pass mark prior to any penalty being imposed, and is submitted up to three working days after the original deadline (or any formally agreed extension to the deadline), no penalty shall be imposed;
• where the piece of work is submitted more than three working days after the original deadline (or any formally agreed extension to the deadline): a mark of zero will be recorded.

Assessments marked Pass/Fail

• where the piece of work is submitted within three working days of the deadline (or any formally agreed extension of the deadline): no penalty will be applied;
• where the piece of work is submitted more than three working days after the original deadline (or any formally agreed extension of the deadline): a grade of Fail will be awarded.

The University policy statement on penalties for late submission can be found at: https://www.reading.ac.uk/cqsd/-/media/project/functions/cqsd/documents/qap/penaltiesforlatesubmission.pdf

You are strongly advised to ensure that coursework is submitted by the relevant deadline. You should note that it is advisable to submit work in an unfinished state rather than to fail to submit any work.

Formative assessment

Formative assessment is any task or activity which creates feedback (or feedforward) for you about your learning, but which does not contribute towards your overall module mark.

As an introduction to the database searching, students will be given a number of formative searching tasks for practice and confidence building. These will be checked by the lecturer during the session before the students proceed to tackle the assessed problems. Students will also receive feedback on their work during all the workshop sessions. 

Reassessment

Additional costs