Dr. Houria Kabbour integrated the CNRS in 2008 as a researcher at UCCS (University of Lille-France) laboratory in the field of solid-state chemistry where she obtained her HDR in 2016. For her postdocs, she joined in 2005 during two years the Materials Science department of the California Institute of Technology, then the Max Planck Institute for solid state research before integrating the CNRS in 2008. She received her Ph.D. from the University of Nantes (IMN) in September 2005. She uses a combined approach involving both ab initio simulations and experiments for the prediction, band gap engineering, elaboration and characterization of functional inorganic compounds, with emphasize on mixed anion systems, with a broad panel of properties including magnetism and optical properties.

Functional materials from mixed anion: band gap and local symmetry engineering

The design of functional materials based on mixed anions appeared in recent years as one of the most promising routes to control and exacerbate numerous properties such as visible light photocatalysis, magnetism, non-linear optical properties, thermoelectricity, etc.… The interplay between multiple anions allow finer band gap engineering (band gap width, bands dispersion at the CBM and VBM …). Furthermore, different types of anions surrounding the same metal cation can lead to enhanced acentric character which can have great impact on the properties (non-linear optical properties, charge carrier’s separation …). Here, we will preset original inorganic phases of this type elaborated and studied by combining experiments and ab initio simulations. Through several new structural types in oxychalcogenides and other more complex mixed anion compounds (involving dichalcogenide pairs and/or triple anion lattices), we will discuss the possibility to tune the symmetry and engineer the band gap to control optical-related properties.