Shuxia Tao
Department
Group
RESEARCH PROFILE
Shuxia Tao is Assistant Professor of Computational Materials Physics at department of Applied Physics, TU/e. Her research interests lie in the development and application of atomistic and multiscale computational methods for simulating materials for energy conversion and storage. A key feature of all energy materials and technologies is their highly interdisciplinary nature, at the intersection of Chemistry, Physics, and Materials Science. Computational Materials Science is a powerful way to study the interplay of the chemistry and physics of materials, providing new insights into the relation of the atomistic details of materials with their performance. Details of her research can be found at her group site: www.shuxiatao.com.
I use computer simulations to understand how electrons and ions interact with each other and how such interactions determine the formation, function and degradation of materials.
ACADEMIC BACKGROUND
With a Physical Chemistry background from Nankai University in China, Shuxia Tao started her PhD in 2007 at Department of Chemical Engineering and Chemistry, TU/e. There she learnt Computational Materials Science and earned her PhD in 2011 with a thesis on hydrogen storage in metal hydrides for battery applications. After a short career break to care for her children, from 2013 to 2016, she worked as a post-doctoral researcher at NWO physics institute NIKHEF for computational materials design for photodetectors.
Since 2016, she leads a research group Computational Materials Physics at Department of Applied Physics, TU/e. Supported by several personal grants, CSER tenure track grant (2016), NWO START-UP (2019), NWO VIDI (2022), her group focuses on the devolepment of atomistic and multiscale computational methods for energy materials, currently with a main focus on novel semiconductors for harvesting solar energy. Her group is a part of Materials Simulation & Modelling (MSM) and she is a member of Center for Computational Energy Research (CCER) and Eindhoven Institute for Renewable Energy Systems (EIRES).
Key Publications
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Mike Pols,José Manuel Vicent-Luna,Ivo Filot,Adri C.T. van Duin,Shuxia Tao
Atomistic Insights Into the Degradation of Inorganic Halide Perovskite CsPbI3
The Journal of Physical Chemistry Letters (2021) -
Zehua Chen,Geert H.L.A. Brocks,Shuxia Tao,Peter A. Bobbert
Unified theory for light-induced halide segregation in mixed halide perovskites
Nature Communications (2021) -
Yuwei Guo,Sofia Apergi,Nan Li,Mengyu Chen,Chunyang Yin,Zhongcheng Yuan,Feng Gao,Fangyan Xie,Geert Brocks,Shuxia Tao
Phenylalkylammonium passivation enables perovskite light emitting diodes with record high-radiance operational lifetime:the chain length matters
Nature Communications (2021) -
Shuxia Tao,Ines Schmidt,Geert Brocks,Junke Jiang,Ionut Tranca,Klaus Meerholz,Selina Olthof
Absolute energy level positions in tin- and lead-based halide perovskites
Nature Communications (2019) -
Nengxu Li,Shuxia Tao,Yihua Chen,Xiuxiu Niu,Chidozie K. Onwudinanti,Chen Hu,Zhiwen Qiu,Ziqi Xu,Guanhaojie Zheng,Ligang Wang
Cation and anion immobilization through chemical bonding enhancement with fluorides for stable halide perovskite solar cells
Nature Energy (2019)
Current Educational Activities
Ancillary Activities
No ancillary activities