Chi Wei Jie

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Research Fellow

Research Background:
Chemistry, Technology and Design,

Pillar / Cluster: Science, Mathematics and Technology


Assistant Professor Liu Xiaogang
Google Scholar Website

Research Project

‘Big Data’ and Theoretical Calculations Aimed Molecular Design of Fluorophores: from Trial-and-Error to Molecular Engineering
PI: Prof. Liu Xiaogang


  • 2017.8 – Now Research fellow Science, Mathematics and Technology Cluster, Singapore University of Technology and Design, Singapore
  • 2013.9 – 2017.7 Ph.D. School of Chemistry, Beijing Institute of Technology, China
  • 2010.9 – 2013.7 M.A. School of Chemistry, Shanxi Normal University, China
  • 2006.9 – 2010.7 B.S School of Chemistry, Tangshan Normal University, China

Research Interests

  • Computational Chemistry
  • Organic fluorescent dye
  • Organic semiconductor
  • Energetic material


  • Excellent Graduate, Shanxi Province, 2013
  • Excellent Graduate, Beijing Institute of Technology, 2017

Selected Publications

  • Chi W J, Yin W, Qi Q K, et al. Ground-state conformers enable bright single-fluorophore ratiometric thermometers with positive temperature coefficients. Materials Chemistry Frontiers, 2017, 1(11): 2383-2390.
  • Chi W J, Zheng D Y, Chen X F, et al. Optimizing thienothiophene chain lengths of D–π–D hole transport materials in perovskite solar cells for improving energy levels and hole mobility. Journal of Materials Chemistry C, 2017, 5(38): 10055-10060.
  • Chi W J, Sun P P, Li Z S. How to regulate energy levels and hole mobility of spiro-type hole transport materials in perovskite solar cells. Physical Chemistry Chemical Physics, 2016, 18(39): 27073-27077.
  • Chi W J, Li Q S, Li Z S. Exploring the electrochemical properties of hole transport materials with spiro-cores for efficient perovskite solar cells from first-principles. Nanoscale, 2016, 8(11): 6146-6154.
  • Chi W J, Sun P P, Li Z S. A strategy to improve the efficiency of hole transporting materials: introduction of a highly symmetrical core. Nanoscale, 2016, 8(41): 17752-17756.
  • Chi W J, Li Q S, Li Z S. Effect of thiophene chain lengths on the optical and hole transport properties for perovskite solar cells. Synthetic Metals, 2016, 211: 107-114.
  • Chi W J, Guo Y Y, Li Q S, et al. Substituent effects on the properties related to detonation performance and stability for pentaprismane derivatives. Theoretical Chemistry Accounts, 2016, 135(6): 145.
  • Chi W J, Li Q S, Li Z S. Effects of molecular configuration on charge diffusion kinetics within hole-transporting materials for perovskites solar cells. The Journal of Physical Chemistry C, 2015, 119(16): 8584-8590.
  • Chi W J, Li Z S. The theoretical investigation on the 4-(4-phenyl-4-α-naphthylbutadieny)-triphenylamine derivatives as hole transporting materials for perovskite-type solar cells. Physical Chemistry Chemical Physics, 2015, 17(8): 5991-5998.
  • Chi W J. Li Z S. Theoretical prediction of detonation performance and stability for energetic polydinitroamino-prismanes. Rsc Advances, 2015, 5(10): 7766-7772.