Welcome to Jun Yin's group at PolyU
We are interested in studying the hybrid materials by a combination of computational strategies and first-principle approaches, including density functional theory (DFT), time-dependent DFT, nonadiabatic molecular dynamics, and many-body perturbation theory. We focus on the structural, electronic, and photophysical properties of advanced material systems (e.g., inorganic semiconductors, topological insulators, TMDs, and inorganic/hybrid perovskites) with different dimensionality and functions. We are also interested in machine learning (ML) for the discovery of new materials for light-emitting, photovoltaic, and spintronic applications.
Selective Publications of Recent 3 Years
(Citations: 20157, h-index: 78, updated on September 10, 2025; #equal contribution, *corresponding author)
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I. Abdelwahab#, D. Kumar#, T. Bian#, H. Zheng, H. Gao, F. Hu, A. McClelland, K. Leng, W. L. Wilson, J. Yin*, H. Yang*, K. P. Loh*, Two-dimensional Chiral Perovskites with Large Spin Hall Angle and Collinear Spin Hall Conductivity, Science 385, 311 (2024).
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H. S. Choi#, J. Lin#, G. Wang#, W. P. D. Wong, I. H. Park, F. Lin, J. Yin*, K. Leng*, J. Lin*, K. P. Loh*, Molecularly-thin, Two-dimensional All-organic Perovskites, Science 384, 6691, 60 (2024).
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J. Liu*#, Y. He#, L. Ding#, H. Zhang†, P. Xiao*, J. Yin*, X. Zhang*, Z. Li*, B. He*, X. Xu* et al. Perovskite-silicon Tandem Solar Cells with Bilayer Interface Passivation, Nature 635, 596 (2024).
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J. K. Chen, Y. Zhou, B. B Zhang, J. Kikkawa, J. Yin*, N. Shirahata, B Chen, E. H. Sargent*, and H. T. Sun*, Computationally Guided Defect-suppressing Synthesis Enables Highly Luminescent Tin Halide Perovskite Nanocrystals, Nat. Synth. 10.1038/s44160-025-00825-4 (2025).
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S. Wu#, Y. Yan#, J. Yin#, K. Jiang, F. Li, Z. Zeng, S. W. Tsang, A. Jen*, Redox Mediator Stabilized Wide-bandgap Perovskites for Monolithic Perovskite-Organic Tandem Solar Cells, Nat. Energy 9, 411 (2024).
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X. Huang, D. Xia, Q. Xie, D. Wang, Q. Li, C. Zhao*, J. Yin*, F. Cao, Z. Su, Z. Zeng, W. Jiang, W. Kaminsky, K. Liu, F. R. Lin, Q. Feng, B. Wu, S. W. Tsang, D. Lei, W. Li*, A. K. Y. Jen*, Supramolecular Force-driven Non-fullerene Acceptors as an Electron-transporting Layer for Efficient Inverted Perovskite Solar Cells, Nat. Commun.16, 1626 (2025).
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Y. Song, Y. Zhou, C. Chen, K. Fan, Z. Wang, Y. Guo, Z. Chen, L. Mao, J. Yin*, P. C. Y. Chow*, Structure-emission Property Relationship of Bilayer 2D Hybrid Perovskites, J. Am. Chem. Soc. 147, 23, 19902 (2025).
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Q. Lu, J. Liu, X. Zou, B. Huang, W. Wu, J. Yin*, Z. Q. Liu*, Y. Wang*, Breaking the Activity-Stability Trade-Off of RuO2 via Metallic Ru Bilateral Regulation for Acidic Oxygen Evolution Reaction, Angew. Chem. Int. Ed. e202503733 (2025).
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L. Liu, J. Liu, G. Li, X. Shi, J. Yin*, S. Zheng, K. F. Yung*, H. B. Yang*, T. W. B. Lo*, Exceptional CO2 Hydrogenation to Ethanol via Precise Single‐Atom Ir Deposition on Functional P Islands, Angew. Chem. Int. Ed. e202422744 (2025).
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Z. Chen, P. Yuan, C. Chen, X. Wang, J. Wang, J. Jia, B. Davaasuren, Z. Lai, N. M. Khashab, K. W. Huang, O. M Bakr, J. Yin*, K. N. Salama*, Balancing Pd–H Interactions: Thiolate‐Protected Palladium Nanoclusters for Robust and Rapid Hydrogen Gas Sensing, Adv. Mater. 36, 51, 2404291 (2025).
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S. Xu, T. Naren, Y. Zhao, Q. Gu, T. W. Lau, C. S. Lee, F. R. Chen, J. Yin*, L. Chen*, Q. Zhang*, Soluble Covalent Organic Frameworks as Efficient Lithiophilic Modulator for High‐Performance Lithium Metal Batteries, Angew. Chem. Int. Ed. e202422040 (2025).
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C. Wang, Q. Wei, H. Ren, K. L. Wong, Q. Liu, L. Zhou, P. Wang, S. Cai, J. Yin*, M. Li*, Efficient Gate‐Tunable Hot‐Carrier Photocurrent from Perovskite Multiple Quantum Wells, Adv. Mater. 37, 5, 2413839 (2025).
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Y. Li, Y. Yan, Y. Fu, W. Jiang, M. Liu, M. Chen, X. Huang, G. Lu, X. Lu, J. Yin*, S. Wu*, A. K. Y. Jen*, Highly Durable Inverted Inorganic Perovskite/Organic Tandem Solar Cells Enabled by Multifunctional Additives, Angew. Chem. Int. Ed. 63, 52, e202412515 (2025).
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F. Li, C. Zhao*, Y. Li, Z. Zhang, X. Huang, Y. Zhang, J. Fang, T. Bian, Z. Zeng, J. Yin*, A. K-Y Jen*, Molecularly Tailorable Metal Oxide Clusters Ensured Robust Interfacial Connection in Inverted Perovskite Solar Cells, Sci. Adv. 10, 50, adq1150 (2024).
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J. Fu, T. Bian, J. Yin*, M. Feng, Q. Xu, Y. Wang, T. C. Sum*, Organic and Inorganic Sublattice Coupling in Two-dimensional Lead Halide Perovskites, Nat. Commun. 15, 4562 (2024).
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A. A. Zhumekenov, Y. Li, Y. Zhou, N. Yantara, A. Kanwat, B. Febriansyah, D. J. J. Tay, H. R. Abuzeid, Y. B. Tay, E. B. Miftahullatif, K. Hippalgaonkar, S. A. Pullarkat, J. Yin*, N. Mathews*, Solvent-Templated Methylammonium-Based Ruddlesden-Popper Perovskites with Short Interlayer Distances, J. Am. Chem. Soc. 146, 10, 6706 (2024).
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Z. Guan, Y. Li, P. Man, H. Tan, Q. Wei, J. Liu, M. Li, T. H. Ly, J. Yin*, C. S. Lee*, Ultrafast Electron Transfer Via Hybrid States at Perovskite/Fullerene Interface, Adv. Mater. 36, 38, 2407406 (2024).
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Q. Lei, L. Huang, J. Yin*, B. Davaasuren, Y. Yuan, X. Dong, Z. P. Wu, X. Wang, K. X. Yao, X. Lu*, Y. Han*, Structural Evolution and Strain Generation of Derived-Cu Catalysts During CO2 Electroreduction, Nat. Commun. 13, 4857 (2022).