Dr. Xiang Li

Research Interests

Crystallographic databases:
Evaluate and standardize crystallographic databases for inorganic materials, and provide support for flexible searching of the databases; use computational tools to generate calculated data to meet the demands for the increased device functionality from academia and industry.

Materials Informatics:
Combine statistical methods with materials databases to expedite experimental data processing, optimize materials design and provide guidance for knowledge discovery.

X-ray diffraction and electron microscopy:
Structure and chemistry determination using XRD and Electron Microscopy, identify structure-property relationships.

Figure 1(left): PC interface for searching FIZ/NIST Inorganic Crystal Structure Database (ICSD, NIST Standard Reference Database 84); Figure 2(right): Crystal structure of Al5.6 Cu1 Li2.9, generated from the information stored in crystallographic database.

Figure 3: Phase identification from combinatorial experiments using calculated diffraction data.