Subject
Advanced Theoretical Methods in Nanoscience
General details of the subject
- Mode
- Face-to-face degree course
- Language
- English
Description and contextualization of the subject
This subject provides the student with the knowledge necessary to understand and characterize the dynamics of the interaction between gas particles and metal surfaces. With this aim, the student will learn about the quantum description of diatomic molecules based on the Born Oppenheimer approximation, atomic and electronic structure of metal surfaces and the kind of interactions governing the adsorption of gas particles at metal surfaces.Additionally, the students will learn about the state of the art description of these processes by using abinitio codes as VASP and Quantum Expresso.
Teaching staff
| Name | Institution | Category | Doctor | Teaching profile | Area | |
|---|---|---|---|---|---|---|
| JUARISTI OLIDEN, JOSEBA IÑAKI | University of the Basque Country | Profesorado Catedratico De Universidad | Doctor | Bilingual | Condensed Matter Physics | josebainaki.juaristi@ehu.eus |
| ALDUCIN OCHOA, MAITE | Centro de Física de Materiales CSIC | Otros | Doctor | |||
| GARCIA LEKUE, ARANTZAZU | DIPC-Donostia International Physic Center | Otros | Doctor | wmbgalea@ehu.eus |
Competencies
| Name | Weight |
|---|---|
| . | 50.0 % |
| Que el estudiante adquiera conocimientos avanzados acerca de los métodos teóricos utilizados para describir diversos fenómenos que tienen lugar en los nanomateriales | 50.0 % |
Study types
| Type | Face-to-face hours | Non face-to-face hours | Total hours |
|---|---|---|---|
| Lecture-based | 15 | 30 | 45 |
| Applied classroom-based groups | 15 | 15 | 30 |
Training activities
| Name | Hours | Percentage of classroom teaching |
|---|---|---|
| Computer practicals | 20.0 | 100 % |
| Lectures | 10.0 | 100 % |
Assessment systems
| Name | Minimum weighting | Maximum weighting |
|---|---|---|
| Otras Evaluaciones | 100.0 % | 100.0 % |
Ordinary call: orientations and renunciation
The student will have to deliver in due time (typically 15 days after the end of the lectures) the solution to a list of problems covering both the theoretical part and the practical (computational) part of the subject.In case the student does not deliver the solution to the list of problems, he/she will be considered as not presented.
Extraordinary call: orientations and renunciation
The student will have to deliver in due time (typically one month after the ordinary call) the solution to a list of problems covering both the theoretical part and the practical (computational) part of the subject.In case the student does not deliver the solution to the list of problems, he/she will be considered as not presented.
Temary
Lecture 1 INTRODUCTION: SURFACE CHEMISTRY AND HETEROGENEOUS CATALYSISLecture 2 MOLECULAR STRUCTURE. BORN-OPPENHEIMER APPROXIMATION.
Lecture 3 STRUCTURAL PROPERTIES OF SURFACES
Lecture 4 ELECTRONIC PROPERTIES OF SURFACES
Lecture 5 ADSORPTION OF ATOMS AND MOLECULES AT SURFACES
Lecture 6 COMPUTATIONAL METHODS TO SIMULATE GAS/SURFACE DYNAMICS
Bibliography
Basic bibliography
B. H. BRANSDEN AND C. J. JOACHAIM, PHYSICS OF ATOMS AND MOLECULES, ED. LONGMAN.JENS. P. DAHL, INTRODUCTION TO THE QUANTUM WORLD OF ATOMS AND MOLECULES, WORLD SCIENTIFIC.
C. COHEN TANNOUDJI, B. DIU, AND F. LALOË, QUANTUM MECHANICS, JOHN WILEY AND SONS
A. ZANGWILL, PHYSICS AT SURFACES, CAMBRIDGE UNIVERSITY PRESS.
K. OURA, V. G. LIFSHITS, A. A. SARANIN, A. V. ZOTOV, M. KATAYAMA, SURFACE SCIENCE,
and Introduction, SPRINGER
A. GROSS, THEORETICAL SURFACE ANALYSIS: A MICROSCOPIC PERSPECTIVE, SPRINGER.
G. A. SAMORJAI, INTRODUCTION TO SURFACE CHEMISTRY AND CATALYSIS, JOHN WILEY AND SONS.
N. BORTOLAMI, N. H. MARCH, AND M. P. TOSI, INTERACTION OF ATOMS AND MOLECULES WITH SOLID SURFACES, PLENUM PRESS