Wang, J.; Freysoldt, C.; Du, Y.; Sun, L.: First-Principles study of intrinsic defects in ammonia borane. The Journal of Physical Chemistry C 121 (41), pp. 22680 - 22689 (2017)
Ouyang, Y.; Tong, X.; Li, C.; Chen, H.; Tao, X.; Hickel, T.; Du, Y.: Thermodynamic and physical properties of FeAl and Fe3Al: An atomistic study by EAM simulation. Physica B-Condensed Matter 407 (23), pp. 4350 - 4536 (2012)
International research team shows how hydrogen affects Nickel-base superalloys at elevated temperatures. Latest results published in journal Nature Materials.
This project targets to exploit or develop new methodologies to not only visualize the 3D morphology but also measure chemical distribution of as-synthesized nanostructures using atom probe tomography.