Staff profile

Dr Michelle JS Spencer

Lecturer, Head of Computational Materials Chemistry

Faculty of Science, Technology and Engineering

School of Molecular Sciences
Department of Chemistry
La Trobe Institute for Molecular Science

Physical Sciences 3, Room 116, Melbourne (Bundoora)

 

Qualifications

PhD, BSc(Hons)

Membership of professional Associations

MRACI CChem

Area of study

Chemistry
Nanotechnology

Brief Profile

Dr Spencer’s research expertise is in the area of materials and nanostructures for applications in electronic devices, gas sensors and batteries. In particular she specialises in using density functional theory and ab initio molecular dynamics simulations to determine the structure, dynamic properties and surface reactions of these materials. Before joining La Trobe University in 2011, she held a Senior Research Fellow position at RMIT University.

 

Grants & Awards

  • La Trobe University eResearch Grant 2011 (CI)
  • La Trobe University Faculty of Science, Technology and Engineering Project Grant 2011 (CI)
  • RMIT Emerging Researcher Grant 2007 (CI)
  • ARC Discovery Grant 2006-2010 (RF)
  • RMIT Summer Research Internship 2006 (CI)
  • RMIT Emerging Researcher Grant 2006 (PI)
  • Prize for Best Poster, The Tenth Australian Molecular Modelling Conference, Perth, Australia, 2006
  • Prize for Best Poster, The Sixth Australian Molecular Modelling Conference, Melbourne, Australia, 2000
  • Australian Postgraduate Award, La Trobe University, 1997-2000
  • D.M. Myers University Medal, La Trobe University, 1996
  • Max O’Connor Honours Year Prize in Chemistry, La Trobe University, 1996
  • Michael Grant Third Year Prize in Chemistry, La Trobe University, 1995

Research interests

Chemical structure and energetics

- Desity functional theory modelling of materials and nanomaterials

Materials and surface science

- Nanomaterials

Semiconductor materials and devices

- Please contact me to discuss a topic.

Surface and materials chemistry

- Please contact me to discuss a topic.

Teaching Units

CHE2 Biological and Bioinorganic Chemistry

CHE2 Medicinal Chemistry

CHE3 Materials Modelling

CHE3 Molecular Design (computational chemistry)

CHE3 Organometallics

Coordination

CHE1GEN General Principles of Chemistry

CHE2NAC Nanochemistry

CHE2NAN Nanotechnology Laboratory Program

For unit descriptions refer to http://www.latrobe.edu.au/chemistry/students/chemsubjects.html

Recent Publications

 Scholarly Book Chapters

  • M.J.S. Spencer, “Density functional theory modeling of ZnO for gas sensor applications”, Chemical Sensors, Vol. 1, Series II: Chapter 5, G. Korotcenkov, Ed., Momentum Press (2012) ISBN 978-1-60650-309-6. (Invited Review, peer reviewed)
  •  I. Yarovsky, M.J.S. Spencer, I.K. Snook, "Metal Surfaces and Interfaces: Properties from Density Functional Theory", in Computational Methods for Large Systems: Electronic Structure Approaches for Biotechnology and Nanotechnology, J.R. Reimers, Ed., Wiley (2011) ISBN: 978-0-470-48788-4.  (Invited Review, peer reviewed)

Refereed Journal Articles

Older Publications

Please visit my ResearcherID profile.

Research projects

Our research uses a computer modelling approach to investigate the structure, properties and dynamical processes of different materials and nanostructures. Methods: 

  • density functional theory
  • ab initio molecular dynamics
  • classical molecular dynamics

Current interest in nanomaterials is enormous. With the discovery of a wide variety of novel nanostructured shapes and forms, from nanowires to nanotubes and nanosheets, it has raised the question about how these materials can be used in current or new technological areas. In order to realise the full potential of such materials an understanding of their properties, including their surface chemistry, is essential. Our research employs computer modelling to examine different nanostructured materials, with the focus being on materials for gas sensing and electronic device applications. Below are some examples of current projects.

Novel Metal Oxide Nanostructures for Gas Sensing The World Health Organization has acknowledged that air pollution is a major environmental health problem affecting everyone. Hence, better detection of pollutant gases is needed to improve human health and safety. Nanostructures of metal oxides are a class of materials that are of considerable interest due to their cheap synthesis methods and highly novel shapes and structures. Such properties make them extremely promising candidates for building blocks in fabricating nanodevices for gas or biological sensing and catalysis. We use density functional theory calculations to investigate the gas-sensor surface reactions and to steer experimental development of these materials as gas sensing devices. This project is in collaboration with researchers at RMIT University.

Nanoscale Silicon for Advanced Electronic Devices Silicon is one of the most important elements is our current society, forming the basis of most semiconducting electronic devices. As the drive to enhance our current technological capabilities and to miniaturize device sizes intensifies, it is imperative to find materials and structures that meet the new demands. The discovery of novel nanoscale forms of silicon and their unique properties makes them extremely promising materials to assist in enhancing current technologies as well as opening up new application areas in gas and biological sensor fields. Using a comprehensive molecular modelling approach, this work provides critical information needed to realise the full potential of these nanomaterials. This project is in collaboration with researchers at the National Institute of Advanced Industrial Science and Technology (AIST) Japan, RMIT University, CSIRO (Melbourne) and Toyota Central R&D Labs, Japan.