About us
Welcome to the website of the Computational Materials Physics Group of Shuxia Tao. We are a part of the Center for Computational Energy Research (CCER), a joint initiative between the Department of the Applied Physics of the Eindhoven University of Technology (TU/e) and Dutch Institute for Fundamental Energy Research (DIFFER). We combine electronic-structure calculations with multi-scale methods to study materials in the solid state for energy applications. The material properties we are interested in include optoelectronic properties, thermodynamics, and chemical kinetics. The ultimate goal of our research is to understand and guide experimental research to accelerate the development of low-cost and sustainable materials for energy applications.
Highlights
Small ions plus large ions
Haibo Xue proves that in the perovskite lattice several smaller ions make room for a large one.
All-inorganic Pb perovskite PV
Our review paper CsPb(IxBr1-x)3 solar cells published on Science Bulletin.
The absolute energy levels
The absolute energy levels of 18 metal halide perovskites published on Nature Communications.
Fluoride protects perovskite PV
Our article NaF improving the stability of perovskite solar cells published on Nature Energy.
Tin, the enabler
Congratulations to Chidozie Onwudinanti for his first-author paper on Nanomaterials.
The small cations in perovskites
Published on Advanced Materials, we reveal small alkali ions stabilize perovskite solar cells.
All-inorganic Sn perovskites
Our collaborative papers with Warwick University for Sn perovskites are published.
Stabilizing Sn perovskites
Congratulations to Junke Jiang for publishing his first-author paper on Journal of Physical Chemistry C.
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