Materia
Advanced Theoretical Methods in Nanoscience/Métodos Teóricos Avanzados en Nanociencia
Datos generales de la materia
- Modalidad
- Presencial
- Idioma
- Inglés
Descripción y contextualización de la asignatura
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.
Profesorado
| Nombre | Institución | Categoría | Doctor/a | Perfil docente | Área | |
|---|---|---|---|---|---|---|
| JUARISTI OLIDEN, JOSEBA IÑAKI | Universidad del País Vasco/Euskal Herriko Unibertsitatea | Profesorado Catedratico De Universidad | Doctor | Bilingüe | Física de la Materia Condensada | josebainaki.juaristi@ehu.eus |
| ALDUCIN OCHOA, MAITE | Centro de Física de Materiales CSIC | Otros | Doctora | |||
| GARCIA LEKUE, ARANTZAZU | DIPC-Donostia International Physic Center | Otros | Doctora | wmbgalea@ehu.eus |
Competencias
| Denominación | Peso |
|---|---|
| Que el estudiante adquiera conocimientos avanzados acerca de los metodos teóricos utilizados en el análisis de nanomateriales | 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 % |
Tipos de docencia
| Tipo | Horas presenciales | Horas no presenciales | Horas totales |
|---|---|---|---|
| Magistral | 15 | 30 | 45 |
| P. de Aula | 15 | 15 | 30 |
Actividades formativas
| Denominación | Horas | Porcentaje de presencialidad |
|---|---|---|
| Clases teóricas | 10.0 | 100 % |
| Prácticas de ordenador | 20.0 | 100 % |
Sistemas de evaluación
| Denominación | Ponderación mínima | Ponderación máxima |
|---|---|---|
| Otras Evaluaciones | 100.0 % | 100.0 % |
Convocatoria ordinaria: orientaciones y renuncia
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.
Convocatoria extraordinaria: orientaciones y renuncia
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.
Temario
Lecture 1 INTRODUCTION: SURFACE CHEMISTRY AND HETEROGENEOUS CATALYSISLecture 2 MOLECULAR STRUCTURE
Lecture 3 ELECTRONIC AND STRUCTURAL PROPERTIES OF SURFACES
Lecture 4 ELEMENTARY CHEMICAL PROCESSES AT SURFACES
Lecture 5 KINETIC MODELING OF PROCESSES AT SURFACES
Lecture 6 POTENTIAL ENERGY SURFACES
Lecture 7 THEORY OF GAS/SURFACE DYNAMICS
Lecture 8 COMPUTATIONAL METHODS TO SIMULATE GAS/SURFACE DYNAMICS
Bibliografía
Bibliografía básica
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.
A. ZANGWILL, ¿PHYSICS AT SURFACES¿, CAMBRIDGE UNIVERSITY PRESS.
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