课程名称

中文：表面科学

英文：Surface Science

任课教师

林晓航

主要教材

参考书目

课程说明

In principle,   surface science focus on the physical and chemical phenomena occurring at the   interface of two phases (including but not limited to solid-liquid,   solid-gas, solid-vacuum and liquid-gas interface). It has always been the   goal of theoretical surface science to understand the fundamental principles   that govern the geometric and electronic structure of surfaces and the   processes occuring on these surfaces like gas-surface scattering, reactions   at surfaces or growth of surface layers. Processes on surfaces play an   enormously important technological role. We are all surrounded by the effects   of these processes in our daily life. Some are rather obvious to us like rust   and corrosion. These are reactions that we would rather like to avoid. Less   obvious are surface reactions that are indeed very advantageous. Many   chemical reactions are promoted tremendously if they take place on a surface   that acts as a catalyst. Actually most reactions employed in the chemical   industry are performed in the presence of a catalyst. Catalysts are not only   used to increase the output of a chemical reaction but also to convert   hazardous waste into less harmful products. The most prominent example is the   car exhaust catalyst.

The course will   be divided into the following parts: 1,Basic knowledge of surface science   (including theroretical methods, thermodynamics of surface science,   electronic structures, physical processes occurring at surfaces (growth,   diffusion, adsoption and so on)；2, computer operation for modelling；3,academic seminar.

内容简介

（系统填写要求不少于200字）

Course Outline 

Week 1:

1 Introduction

The definition   of surface/interface, the importance of surface science

2 Electronic   structure methods and total energy

2.1 The   Schroedinger equation/Born-Oppenheimer approximation/ Hamiltonian

2.2 Hatree-Fock   theory/ Quantum chemistry methods/ Density functional theory

Week 2:

2.3   Pseudopotential/ Implementations of DFT

2.4   Many-electron methods/ tight-binding methods

Week 3:

3 Structure and   energetics of clean surfaces

3.1 Electronic structure of surfaces

Week 4:

3.2 Metal   surfaces

3.3 Semiconductor   surfaces

3.4 Ionic   surfaces

Week 5:

3.5   Interpretation of STM images

3.6 Surface   phonons

Week 6:

4 Adsorption on   surfaces

4.1   Physisorption/ Newns-Anderson Model

Week 7:

4.2 Atomic   Chemisorption/ Effective Medium theory/ Embedded atom method

4.3 Reactivity   concepts

Week 8:

4.4 Adsorption   on Low-index/ precovered/ structured surfaces

4.5 Adsorbate   structures at Non-zero temperature and pressures

Week 9:

4.6 Reactions on   surfaces

Week 10:

5 Surface   Magnetism

5.1 Exchange   Interaction/ Spin-density formalism

5.2 Ferro- and   Antiferromagnetism

5.3 Magnetic   nanostructures on surfaces

Week 11:

6 Kinetic   Modelling of processes on surfaces

6.1   Determination of rates

Week 12:

6.2 Diffusion

6.3 Kinetic   modelling of adsorption and desorption

Week 13:

6.4 Growth

Week 14:

6.5 Reaction   kinetics on surfaces

Week 15:

7 Perspectives

7.1 Solid-liquid   interface

7.2   Nanostructured surfaces

7.3 Biologically   relevant systems

7.4 Industrial   applications