National Energy Technology Laboratory (NETL) – Computational High-Temperature Sensing Materials

Pittsburgh, PA

Apply by 8/1/19


Through the Oak Ridge Institute for Science and Education (ORISE), this posting seeks a postdoctoral researcher to engage with National Energy Technology Laboratory (NETL) teams on the development of high-temperature gas sensors for power generation and industrial applications, such as combustion processes, solid oxide fuel cells (SOFCs), aerospace and metal refining industries, which is essential to improve energy efficiency and reduce toxic emissions. Research efforts associated with this position focus primarily on: i) thermodynamic, electronic, and optical properties of pure, defective, and doped sensor materials at high temperature through electron-phonon interaction and thermal expansion; ii) gas molecules interacting with pure and defective surfaces of sensor materials; iii) gas sensor pathways and corresponding kinetics; iv) selectivity and stability of sensor materials when sensing gases; and v) improving sensitivity and selectivity by creating defects and doping.

The successful candidate will have a strong background in these elements (but not necessarily all):

  • Demonstrable skills in advanced computational methods (DFT, ab initio MD/MC, lattice phonon dynamics) for solving complex problems
  • Significant experience in fundamental research on electronic and optical properties of solids, and will preferably have experience in programming suitable for a high-performance computing environment (e.g. parallel processing and programming in MPI environment).
  • The successful candidate is not required to possess specific experience in sensor development, but preference will be given to candidates with experience in sensors, solid oxide fuel cells, electroceramic materials, electrochemistry, and other energy conversion devices.


Program information: Detailed information about the program can be found at Please send a CV to Yuhua Duan at

How to apply: Information in regard to the opportunity and a link to the application can be found at