Junke Jiang ☕️
Junke Jiang

Postdoctoral Researcher

About Me

Junke Jiang is a postdoctoral researcher at Institut FOTON, INSA Rennes, France. He obtained his doctoral degree in Physics from Eindhoven University of Technology, focusing on the optoelectronic properties and stability of lead-halide and lead-free perovskites. He has worked at ISCR—UMR CNRS 6226 and visited Universität Bremen, contributing to the development of methods for large-scale perovskite simulation and device optimization. Junke’s research interests include perovskite materials, computational materials science, and energy materials.

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Interests
  • Perovskite Materials
  • Optoelectronic Properties
  • Computational Materials Science
  • Multi-scale Simulation
  • Energy Materials
My Research

I am a post-doctoral researcher at Institut FOTON, INSA Rennes, exploring computational materials science from electronic-structure theory to device-level modelling.

Below are four current research directions.

Perovskite stability

Perovskite stability & phase transitions

Large-scale simulations to understand structural distortions, phase transitions, and their impact on optoelectronic properties and long-term device stability.

Defects and interfaces

Defects, dopants & interfaces

Atomistic modelling of defects, dopants, and heterostructures to control recombination, ion migration, and interfacial losses in energy materials.

Device-level modelling

Device-level charge transport

Linking electronic-structure input to device models for transistors and optoelectronic devices, targeting efficient and stable operation.

Data-driven materials discovery

Data-driven materials discovery

Combining high-throughput calculations with machine learning to screen and design next-generation perovskite and 2D energy materials.

Featured Publications
(2025). Flexible and efficient semiempirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures. Physical Review Materials.
(2023). On the mechanism of solvents catalyzed structural transformation in metal halide perovskites. Advanced Materials.
(2022). The role of solvents in the formation of methylammonium lead triiodide perovskite. Journal of Energy Chemistry.
(2021). The role of sodium in stabilizing tin-lead (Sn-Pb) alloyed perovskite quantum dots. Journal of Materials Chemistry A.
(2020). Atomistic and Electronic Origin of Phase Instability of Metal Halide Perovskites. ACS Applied Energy Materials.
Recent Publications
(2025). Activating the Screened Thermoelectric and Photocatalytic Water-Splitting Potential in Janus Sn2XY (X$ne$ Y= Te, Se, and S) Monolayers via Doping and Strain Engineering. The Journal of Physical Chemistry C.
(2025). Evidence of the As/PtSe2 Heterostructure with a Robust Built-In Electric Field as a Competitive Z-Scheme Photocatalyst for Overall Water Splitting. The Journal of Physical Chemistry C.
(2025). Flexible and efficient semiempirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures. Physical Review Materials.
(2025). On-Off Switching of Singlet Self-Trapped Exciton Emission Endows Antimony-Doped Indium Halides with Excitation-Wavelength-Dependent Luminescence. Small.
(2025). Unlocking the porous, anomalous narrow band gap inorganic graphenylene-like CuO monolayer with post oxidation advantage for thermophotovoltaic and solar cell. Surfaces and Interfaces.
Recent & Upcoming Talks
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