Molecular Electronics Theory

Course content

This course will provide an introduction to molecular electronics and the theoretical
methods required to study charge transfer and transport at the single molecule level.
While the chemistry of the molecule fundamentally underlies the transport properties,
there are also important interactions with the environment that can dramatically
change the measured response. The course will examine how different experimental
scenarios influence what will be measured and how this is reflected in the theory used
to treat the problem.

Education

MSc Programme in Chemistry

MSc Programme in Nanoscience

Learning outcome

Knowledge:
The student will obtain a knowlegde about the necessary fundamental concepts and equations from statistical mechanics, electromagnetism, and quantum mechanics to be used within molecular electronics. The student will know how to connect standard electron transfer theories to molecular electronics and how to relate charge transfer to charge transport

Skills:
- predict and understand electronic coupling through-bond and through-space
 - derive transport models within response theory, TD QM, Green’s functions
 - apply Marcus theory to electron transfer and the Landauer equation for calculating electronic transport
 - able to relating charge transfer to charge transport structure, properties and spectra of atoms
 
  
Compentence:
The student will be able to examine how different experimental
scenarios influence what will be measured and how this is reflected in the theory used
to treat the problem. The student will have the tools for calculating transport and an overview of molecular electronics.

Lectures, teoretical problem solving, computer exercises and discussion sessions

ECTS
7,5 ECTS
Type of assessment
Oral examination, 30 min (no preparation time)
---
Aid
All aids allowed
Marking scale
passed/not passed
Censorship form
No external censorship
several internal examiners
Criteria for exam assessment

See the course description

Single subject courses (day)

  • Category
  • Hours
  • Lectures
  • 42
  • Theory exercises
  • 28
  • Practical exercises
  • 28
  • Exam
  • 0,5
  • Preparation
  • 107,5
  • English
  • 206,0