Education

Ph.D. in physics, June 2010, Fudan University

Bachelor D. in physics, June 2004, Tongji University

Professional Positions Held

Associate Professor of Physics, December 2013-August 2019

Professor of Physics, September 2019-present

International Communication and Visit

2012.12-2013.8：Nanyang Technological University in Singapore, visiting scholar;

Research Grants Funded So Far

1. Theoretical investigation of carrier transportation in organic semiconductors. The National Natural Science Foundation of China,￥200,000, January 2012-December 2014.

2. Spin-boson theory for exciton dissociation in organic photovoltaic devices. The National Natural Science Foundation of China,￥620,000, January 2016-December 2019.

3. Theoretical investigation for exciton coherent dynamics in organic semiconductors. The National Natural Science Foundation of China,￥620,000, January 2020-December 2023.

Representative papers

1. Yao Yao, Liwei Duan, Zhiguo Lu, Chang-Qin Wu, and Yang Zhao, Dynamics of the sub-Ohmic spin-boson model: A comparison of three numerical approaches, Phys. Rev. E 88, 023303 (2013).

2. Yao Yao, Spin-boson theory for charge photogeneration in organic molecules: Role of quantum coherence, Phys. Rev. B 91, 045421 (2015).

3. Wenchao Yang, Yao Yao, and Chang-Qin Wu, Mechanism of charge recombination in meso-structured organic-inorganic hybrid perovskite solar cells: A macroscopic perspective, J. Appl. Phys. 117, 155504 (2015).

4. Yao Yao, Coherent dynamics of singlet fission controlled by nonlocal electron-phonon coupling, Phys. Rev. B 93, 115426 (2016).

5. Yao Yao, Xiaoyu Xie, and Haibo Ma, Ultrafast Long-Range Charge Separation in Organic Photovoltaics: Promotion by Off-Diagonal Vibronic Couplings and Entropy Increase, J. Phys. Chem. Lett. 7, 4830 (2016).

6. Wenchao Yang, Yongsong Luo, Pengfei Guo, Haibin Sun, and Yao Yao, Leakage Current Induced by Energetic Disorder in Organic Bulk Heterojunction Solar Cells: Comprehending the Ultrahigh Loss of Open-Circuit Voltage at Low Temperatures, Phys. Rev. Appl. 7, 044017 (2017).

7. Ke-Wei Sun and Yao Yao, Beating maps of singlet fission: Simulation of coherent two-dimensional electronic spectroscopy by Davydov ansatz in organic molecules, J. Chem. Phys. 147, 224905 (2017).

8. Haibo Ma, Zhen Luo, and Yao Yao*, The time-dependent density matrix renormalisation group method, Molecular Physics 116, 854 (2018).

9. Yao Yao, Ke-Wei Sun, Zhen Luo, Haibo Ma, Full Quantum Dynamics Simulation of a Realistic Molecular System Using the Adaptive Time-Dependent Density Matrix Renormalization Group Method, J. Phys. Chem. Lett. 9, 413 (2018).

10. Xiaoyu Liu, Yajie Yan, Yao Yao, and Ziqi Liang, Ternary Blend Strategy for Achieving High-Efficiency Organic Solar Cells with Nonfullerene Acceptors Involved, Adv. Funct. Mater. 28, 1802004 (2018).

11. Yao Yao, Establishing a microscopic model for nonfullerene organic solar cells: Self-accumulation effect of charges, J. Chem. Phys. 149, 194902 (2018).

12. Rui Wang, Yao Yao, Chunfeng Zhang, Yindong Zhang, Haijun Bin, Lingwei Xue, Zhi-Guo Zhang, Xiaoyu Xie, Haibo Ma, Xiaoyong Wang, Yongfang Li, and Min Xiao, Ultrafast hole transfer mediated by polaron pairs in all-polymer photovoltaic blends, Nat. Commun. 10, 398 (2019).

13. Jiarui Zeng, Shao-Bin Qiu, Yu-Jun Zhao, Xiao-Bao Yang, and Yao Yao, Quantum Dynamics Simulation of Doublet Excitation and Magnetic Field Effect in Neutral Radical Materials, J. Phys. Chem. Lett. 11, 1194 (2020).

14. Jiaqing Huang, Yijie Mo, and Yao Yao, Unified Dynamic Approach for Simulating Quantum Tunneling and Thermionic Emission at Metal-Organic Interfaces, Phys. Rev. Appl. 15, 014021 (2021).

15. Zhiwei Wang, Heyuan Liu, Xiaoyu Xie, Chunfeng Zhang, Rui Wang, Lan Chen, Yihe Xu, Haibo Ma, Weihai Fang, Yao Yao, Hai Sang, Xiaoyong Wang, Xiyou Li and Min Xiao, Free-triplet generation with improved efficiency in tetracene oligomers through spatially separated triplet pair states, Nature Chemistry 13, 559 (2021).