Materials characterization and bio-interfaces

The main learning objectives of this course are:
* Use specific software for molecular visualization.
* Understand the basis of some relevant techniques for the characterization of the solid state.
* Analyse the results of the most relevant characterization techniques of the solid state.
* Select the most suitable characterization techniques for solving particular problems.

* Computational techniques:
Chapter 1: Molecular visualization: introduction to Computational Chemistry, methods in Computational Chemistry, software of molecular visualization, conformational energy analysis, molecular dynamics.

* Characterization of the solid state:
Chapter 2: Thermal analysis of materials: thermogravimetric analysis (TGA), scanning differential calorimetry (DSC), differential thermal analysis (DTA), isothermal titration calorimetry (ITC).
Chapter 3: Diffraction techniques: x-ray powder diffraction (XRPD).
Chapter 4: Modern microscopic techniques: scanning tunnelling microscopy (STM), atomic force microscopy (AFM).
Chapter 5: Spectroscopic characterization of surfaces and interfaces: Surface Plasmon Resonance (SPR), Raman spectroscopy, x-ray photoelectron spectroscopy (XPS) and Auger spectroscopy.
Chapter 6: Characterization of colloidal dispersions: dynamic light scattering (DLS) and zeta potential.

Basic bibliography (reference manuals):
- P. Atkins, J. de Paula: Physical Chemistry, 10th Edition; Oxford University Press, 2014
- I. N. Levine: Physical Chemistry, 6th Edition; McGraw-Hill, 2014
Previous editions are also valid.

- A.R. West: "Solid State Chemistry and its Applications". Wiley, 2nd Edition, 2014.
- L.E. Smart, E.A. Moore: "Solid State Chemistry: An Introduction". CRC Press, 4th Edition, 2012.

Complementary bibliography:
- J.M. Hollas: Modern Spectroscopy; 4th Edition; John Wiley & Sons, 2004.
- S.R. Morrison: The Chemical Physics of Surfaces; 2nd Edition; Plenum Press, 1990.
- F. MacRitchie: Chemistry at Interfaces; Academic Press, 1990.
- D. Myers: Surfaces, Interfaces and Colloids: Principles and Applications; VCH, 1999.
- G. Cao: "Nanostructures and Nanomaterials: Synthesis, Properties and Applications". Imperial College Press, 2004.
- S.E. Lyshevski (Editor): "Dekker Encyclopedia of nanoscience and nanotechnology" (7 volumes), 3rd Edition. CRC Press, 2014.
- John P. Sibilia: “A guide to materials characterization and chemical analysis”. VCH Publishers, 1998.
- J. Bermúdez Polonio: "Métodos de difracción de rayos X. Principios y aplicaciones". Editorial Pirámide, 1981.
- C. Hammond: "The basics of Crystallography and Diffraction", 4th Edition. International Union of Crystallography, Oxford University Press, 2015.
- B. D. Cullity S.R. Stock “Elements of X-Ray Diffraction” 3rd Edition. Prentice Hall 2014
- C. Giacovazzo, editor “Fundamentals of Crystallography” 3rd Edition. International Union of Crystallography, Oxford University Press, 2011.

In addition, complementary information (research articles, webpages, texts) will be recommended in each part of the matter.

* Basic and general competences.

CG2 - Identify information from scientific literature using appropriate channels and integrate such information to raise and contextualize a research topic.

CG5 - Use scientific terminology in English to argue the experimental results in the context of the chemical profession.

CG6 - Apply new technologies successfully capturing and organizing information to solve problems in professional activity.

CB7 - Students should be able to apply their knowledge and ability to solve problems in new or unfamiliar environments within broader (or multidisciplinary) contexts related to their field of study.

CB8 - Possess knowledge and understanding to provide a basis or opportunity for originality in developing and / or applying ideas, often within a research context.

CB10 - Students should possess the learning skills to allow them to continue studying in a way that will have to be largely self-directed or autonomous.


* Transversal competences.

CT1 - To elaborate, to write and to defend publicly reports of scientific and technical character.
CT2 - To teamwork and to adapt to multidisciplinary teams.
CT3 - To work with autonomy and efficiency at the daily practice of the research or of the professional activity.
CT4 - To estimate the value of the quality and the continuous improvement, acting with rigor, responsibility and professional ethics.

* Specific competences.

CE1 - To define concepts, principles, theories and specialized facts of the different areas of the Chemistry
CE2 - To propose alternatives for the resolution of complex chemical problems of the different chemical specialities.
CE3 - To apply the materials and the biomolecules in innovative fields of the industry and chemical engineering.
CE4 - To innovate in the methods of synthesis and chemical analysis related to the different areas of the Chemistry.
CE9 - To evaluate, to promote and to practise the innovation and the undertaking in the industry and in the chemical research.
CE7 - To operate with advanced instrumentation for the chemical analysis and the structural determination.

In general, the following teaching methodologies will be used:

MD1. Face-to-face theoretical teaching. Explanatory classes (use of blackboard, computer, projector), complemented with the proper tools of the virtual teaching.
MD2. Practices in the computer lab.
MD4. Resolution of practical exercises (problems, multiple-choice questions, interpretation and processing of the information, evaluation of scientific publications, etc.)
MD5. Tutoring for very individual or very small groups.
MD8. Use of specialized software and internet resources. Educational on-line support (Campus Virtual).
MD11. Accomplishment of the different proofs for verifying the obtaining of both theoretical and practical knowledge and the acquisition of skills and attitudes.

These methodologies will be implemented in the course in different ways:
*The expositive and interactive teaching will be fundamentally face-to-face, although, in an exceptional and justified case, the telematics teaching (using Microsoft TEAMS) can be combined with the classroom teaching up to a maximum of 10%.
*The tutorials can be carried out partially in a telematic way (Virtual Campus or Microsoft TEAMS)
*Final tests will be in person.

* General Considerations
The evaluation of this subject will be done by means of continuous assessment and the accomplishment of a final examination.
The submission of materials for the continuous evaluation part may be required for the second chance examination.
In the case of fraudulent exercises or tests, the provisions of the Regulations on the assessment of students' academic performance and the review of grades shall apply.

* Criteria of evaluation
SYSTEM OF EVALUATION; WEIGHTING
Final examination: 55 %
Continuous assessment: 45%
The continuous evaluation (N1) will have a weight of 45% in the grade of the subject and will consist of two parts well differentiated: 20% for computational techniques and 25% for the rest of continuous evaluation.
The continuous evaluation will be mainly telematic (Virtual Campus or Microsoft TEAMS). It will consist of presentations in the Virtual Campus of problems and practical cases (35%), in the evaluation of the student through questions and questionnaires during the course (5%) and in the oral presentation (works, reports, problems and practical cases) (5%).
The final examination (N2) will have a weight of 55 % and will cover all the contents of the subject.
The final student’s score will be calculated by applying the following formula:
Final mark = 0.45 x N1 + 0.55 x N2
Being N1 the numerical mark corresponding to the continuous assessment (0-10 scale) and N2 the numerical mark of the final examination (0-10 scale).
In any case, to pass the course, it is mandatory to achieve a minimum mark of 5.0 (0-10 scale).

TRAINING ACTIVITY: HOURS - FACE-TO-FACE CLASSES
Large Group Lectures: 12h - 100%
Interactive small group classes (Seminars): 4h - 100%
Experimental work (data analysis): 5h - 100%
Very small group tutorials: 2h - 100%
Computer lab practices: 4h - 100%
Preparation of proofs and directed works 20h - 0%
Personal study of the student: 28h - 0%

Total hours of personal work = 75h

The student must revise the theoretical concepts got in the different topics using the recommended bibliography. The degree of success in the resolution of the proposed exercises provides a measure of the preparation of the student to confront the final examination of the subject. Those students who find important difficulties at the moment of the proposed activities must contact in the hours of tutorship of the teacher, with the aim to analyse the problem and help to solve the above-mentioned difficulties.