姚尧科研成果

更新日期：2024年2月27日 姓 名 姚尧 性 别 男 出生年月 1983年11月 籍贯 四川蓬溪县 民 族 汉族 政治面貌 群众 最后学历 博士研究生 最后学位 理学博士 技术职称 教授 导师类别 博、硕导 行政职务 Email yaoyao2016@scut.edu.cn 工作单位 物理与光电学院 邮政编码 通讯地址 18号楼 单位电话 个人简介 研究领域：理论凝聚态物理。（1）有机电子学，研究有机分子/自由基材料中因量子相干性引起的光、电、磁现象及其输运机理；（2）量子热力学，研究量子热化与多体局域化相关的宏观量子效应，包括量子淬火、量子热机、马费米子、时间晶体、OTOC等。首先将含时密度矩阵重整化群（tDMRG）方法用在实际材料电-声相互作用体系，基于Davydov Ansatz提出了基于压缩态的新拟设，将势能面跃迁方法（surface hopping）用在了金属-有机界面电荷注入中。首先发现了纯有机小分子半导体中的室温宏观磁性，提出了有机光伏体系中的超快长程电荷转移态，证实了单线态裂分中的长程三线态对态，提出了刻画拓扑超导相的一种拓扑弦序。迄今已在包括Nat. Chem./Commun.、Adv. Mater.、Phys. Rev. Res./A/B/E/Appl.、J. Chem. Theory Comput.、J. Phys. Chem. Lett.等杂志上发表论文60余篇，被引1000多次，H因子为20。十多年来持续讲授物理系本科及研究生专业课程，包括热力学与统计物理、高等量子力学、半导体物理、超导物理、费曼物理学、物理学的进化等，年均课时数超过200。已经指导过8位研究生，其中3人获得国家/校长奖学金。兴趣爱好广泛，没事喜欢水知乎，爱看动漫，写过小说，喜欢研究科技史，业余投资。 工作经历 2016-11至今                华南理工大学       副教授、教授2009-08/2016-10        复旦大学             博士后、讲师、副教授 教育经历 2004-09/2009-07      复旦大学          理论物理            博士2000-09/2004-07      同济大学          应用物理学         本科 研究领域 有机半导体中的光、电、磁相关过程；量子热力学与量子动力学；量子多体系统中的超导、磁、局域化等。 科研项目 1、国基面上项目：有机半导体中室温铁磁性的机理与应用研究；2024.01-2027.12；53万元。2、国基面上项目：有机半导体中激子相干动力学的理论研究；2020.01-2023.12；62万元。3、国基重大研究计划集成项目：有机能源材料电子态的本质；2019.01-2021.12；50万元（到校）。4、国基面上项目：有机光伏器件中激子拆分的自旋-玻色理论研究；2016.01-2019.12；62万元。5、国基青年基金项目：有机半导体中载流子输运特性的理论研究；2012.01-2014.12；20万元。6、国基重大研究计划重点支持项目：有机材料中的电荷与自旋载体以及激子的运动过程模拟；2014.01-2017.12；140万元（到校）。7、国基重点项目：有机太阳能电池中激子和载流子行为的实验与理论研究；2012.01-2016.12，参加。8、参加广东省重点研发计划项目：精密探测金属表面噪声和环境磁场的囚禁离子探针的实验探究；2020.08-2023.09；45万元。9、参加973项目：异质界面诱导的新奇量子现象和调控；2012.01-2016.12。10、中央高校：有机太阳电池的全量子动力学模拟；2019.01-2020.12；20万元。11、中央高校：有机光伏器件中的电荷转移态研究；2017.01-2018.12；8万元。 发表论文 Guanghua Chen and Yao Yao*, "Nonthermal entanglement dynamics in a dipole-facilitated glassy model with disconnected subspaces", Phys. Rev. Res. 6, L012015 (2024).Weijie Huang and Yao Yao*, "Spatial inversion symmetry breaking of vortex current in a biased-ladder superfluid", Phys. Rev. Res. 6, 013037 (2024).Jingyu Liu, Jiani Liu and Yao Yao*, "Parity of polaritons in a molecular aggregate coupled to a single-mode cavity", J. Phys.: Condens. Matter 36, 115704 (2024).Jiarui Zeng, Xiao-Tong Yan, Yao Yao*, Yu-Jun Zhao, Liang Chen*, and Mang Feng*, "Theoretical investigation of electric-field noise emanating from vibrational adatoms", Phys. Rev. A 108, 023121 (2023).De-Zhang Li , Wei-Jie Huang, Yao Yao, and Xiao-Bao Yang*, "Exact results for the residual entropy of ice hexagonal monolayer", Phys. Rev. E 107, 054121 (2023).Yu Wang, Jiani Liu, Yibo Niu, Linli He, Yujie Wang, Ying Ma,* Yao Yao,* and Jianshan Ye*, "Tetraphenylethene-Based Multicomponent Platinum (II) Metallacages with Tunable Luminescence and Aggregation-Induced Electrochemiluminescence Properties", Adv. Optical Mater. 2202940 (2023).Jia-Yi Lin, Zhong-Jia Chen, Zhipeng Cao, Jiarui Zeng, Xiao-Bao Yang, Yao Yao, and Yu-Jun Zhao*, "Multiple Magnetic Topological Phases in the van der Waals Crystal Mn(Bi,Sb)4Se7", J. Phys. Chem. Lett. 14, 3913 (2023).De-Zhang Li, Yu-Jun Zhao, Yao Yao, and Xiao-Bao Yang, "Residual entropy of a two-dimensional Ising model with crossing and four-spin interactions", J. Math. Phys. 64, 043303 (2023).De-Zhang Li, Jia-Rui Zeng, Wei-Jie Huang, Yao Yao, and Xiao-Bao Yang, "Analysis of transition path ensemble in the exactly solvable models via overdamped langevin equation", Phys. Scr. 98, 025218 (2023).Weijie Huang and Yao Yao*, "Intertwined string orders of topologically trivial and nontrivial phases in an interacting Kitaev chain with spatially varying potentials", Phys. Rev. B 105, 245144 (2022).Guanhua Chen, Weijie Huang, and Yao Yao*, "Dynamics of entangled domain walls in the PXP model under driving: Crossover from prethermalization to localization", Phys. Rev. B 106, 174302 (2022).Qinglin Jiang, Jiang Zhang,* Zhongquan Mao, Yao Yao,* Duokai Zhao, Yanhua Jia, Dehua Hu,* and Yuguang Ma*, "Room-Temperature Ferromagnetism in Perylene Diimide Organic Semiconductor", Adv. Mater. 2108103 (2022).Jiarui Zeng and Yao Yao*, "Variational Squeezed Davydov Ansatz for Realistic Chemical Systems with Nonlinear Vibronic Coupling", J. Chem. Theory Comput. 18, 1255 (2022).Jiani Liu, Jiarui Zeng, Duokai Zhao, Yao Yao*, Dehua Hu and Yuguang Ma, "Comprehending radicals, diradicals and their bondings in aggregates of imide-fused polycyclic aromatic hydrocarbons", Chem. Sci. 13, 9985 (2022).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).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).Shao-Bin Qiu, Yu-Jun Zhao, Yao Yao, and Xiao-Bao Yang*, "Possible high-spin states in hydrogenated C60 molecules", Phys. Rev. B 104, 134409 (2021).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).Yijie Mo, Jiaqing Huang and Yao Yao*, "Disorder-free dynamic localization in non-adiabatic processes: entanglement entropy and OTOC", Journal of Physics: Condensed Matter 32, 325401 (2020).Jiaqing Huang, Yijie Mo, and Yao Yao*, "Charge-transfer state dynamics in all-polymer solar cells: formation, dissociation and decoerence", Phys. Chem. Chem. Phys. 21, 2755 (2019).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).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).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).Yao Yao, "Establishing a microscopic model for nonfullerene organic solar cells: Self-accumulation effect of charges", J. Chem. Phys. 149, 194902 (2018).Yao Yao, "Polaronic quantum diffusion in dynamic localization regime", New J. Phys. 19, 043015 (2017).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).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).Yao Yao, "Coherent dynamics of singlet fission controlled by nonlocal electron-phonon coupling", Phys. Rev. B 93, 115426 (2016).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).Yao Yao, "Spin-boson theory for charge photogeneration in organic molecules: Role of quantum coherence", Phys. Rev. B 91, 045421 (2015).Wenchao Yang, Yao Yao*, and Chang-Qin Wu, "Origin of the high open circuit voltage in planar heterojunction perovskite solar cells: Role of the reduced bimolecular recombination", J. Appl. Phys. 117, 095502 (2015).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).Yao Yao, Wenchao Yang, and Yang Zhao, "Exciton dissociation in the presence of phonons: A reduced hierarchy equations of motion approach", J. Chem. Phys. 140, 104113 (2014).Wei Si, Yao Yao, Xiaoyuan Hou, and Chang-Qin Wu, "Magnetoresistance from quenching of spin quantum correlation in organic semiconductors", Organ. Electron. 15, 824 (2014).Yang Zhao, Yao Yao, Vladimir Chernyak, and Yang Zhao, "Communication: Spin-boson model with diagonal and off-diagonal coupling to two independent baths: Ground-state phase transition in the deep sub-Ohmic regime", J. Chem. Phys. 140, 161105 (2014).Wenbin Li, Haomiao Yu, Jiawei Zhang, Yao Yao, Changqin Wu, and Xiaoyuan Hou, "Photoinduced Injection Enhancement in Fullerene-Based Organic Solar Cell Originates from Exciton–Electron Interaction", J. Phys. Chem. C 118, 11928 (2014).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).Yao Yao and Yang Zhao, "A variational surface hopping algorithm for the sub-Ohmic spin-boson model", J. Chem. Phys. 139, 014102 (2013).Yao Yao, Wei Si, WenChao Yang, and Chang-Qin Wu, "Charge transport in organic semiconductors: From incoherent to coherent", Chin. Sci. Bull. 58, 2669 (2013). Bao-Fu Ding, Wallace C.H. Choy, Wai-Ming Kwok, Yao Yao, Keith Y. F. Ho, and Chang-Qin Wu, "A reduced electron-extraction barrier at an interface between a polymer poly(3-hexylthiophene) layer and an indium tin oxide layer", Organ. Eletron. 14, 457 (2013).Wenchao Yang, Yao Yao, and Chang-Qin Wu, "Mechanisms of device degradation in organic solar cells: Influence of charge injection at the metal/organic contacts" Organ. Electron. 14, 1992 (2013).Jia Wang, Yue Yang, Yao Yao and Chang-Qin Wu, "Role of solitons in non-equilibrium electronic transport through a polymer chain", EPL 102, 67003 (2013).Yao Yao, Yintao You, Wei Si, and Chang-Qin Wu, "Modeling the underlying mechanisms for organic memory devices: Tunneling, electron emission, and oxygen adsorbing", Appl. Phys. Lett. 100, 263307 (2012).Yao Yao, Wei Si, Xiaoyuan Hou, and Chang-Qin Wu, "Monte Carlo simulation based on dynamic disorder model in organic semiconductors: From coherent to incoherent transport", J. Chem. Phys. 136, 234106 (2012).Y. T. You, Q. Zeng, Y. Yao, M. L. Wang, B. Wu, Y. He, Y. M. Hu, C. Q. Wu, and X. Y. Hou, "Field-induced evolution of metallic nano-tips in indium tin oxide-tris-(8-hydroxyquinoline) aluminum-aluminum device", Appl. Phys. Lett. 100, 123304 (2012).Yao Yao, Wei Si, Chang-Qin Wu, "Understanding magnetic field effects in organic light-emitting devices", Synthetic Metals 161, 632 (2011).Yao Yao, Yu Qiu, and Chang-Qin Wu, "Polaron dynamics in conjugated polymers with dissipation", J. Phys.: Cond-mat. 23, 305401 (2011).B. F. Ding, Y. Yao, C. Q. Wu, X. Y. Hou, and W. C. H. Choy, "Using Magneto-Electroluminescence As a Fingerprint to Identify the Carrier-to-Photon Conversion Process in Dye-Doped OLEDs", J. Phys. Chem. C 115, 20295 (2011).Yao Yao, Xiaoyu Sun, Baofu Ding, De-Li Li, Xiaoyuan Hou, and Chang-Qin Wu, "A combined theoretical and experimental investigation on the transient photovoltage in organic photovoltaic cells", Appl. Phys. Lett. 96, 203306 (2010).B. F. Ding, Y. Yao, Z. Y. Sun, C. Q. Wu, X. D. Gao, Z. J. Wang, X. M. Ding, W. C. H. Choy, and X. Y. Hou, "Magnetic field effects on the electroluminescence of organic light emitting devices: A tool to indicate the carrier mobility", Appl. Phys. Lett. 97, 163302 (2010). B. P. Xie, L. F. Zhu, K. Yang, B. Zhou, N. Hiraoka, Y. Q. Cai, Y. Yao, C. Q. Wu, E. L. Wang, and D. L. Feng, "Inelastic x-ray scattering study of the state-resolved differential cross section of Compton excitations in helium atoms", Phys. Rev. A 82, 032501 (2010). Baofu Ding, Yao Yao, Xiaoyu Sun, Xindong Gao, Zuoti Xie, Zhengyi Sun, Zijun Wang, Xunmin Ding, Yizheng Wu, Xiaofeng Jin, Wallace C. H. Choy, Chang-Qin Wu, and Xiaoyuan Hou, "Magnetic field modulated exciton generation in organic semiconductors: An intermolecular quantum correlated effect", Phys. Rev. B 82, 205209 (2010).Hui Zhao, Yu-Guang Chen, Yao Yao, Chang-Qin Wu, Xu-Ming Zhang, and Zhong An, "Spin-flip processes of polarons by magnetic impurities in conjugated polymers", J. Chem. Phys. 131, 154901 (2009). Yao Yao, Hui Zhao, Joel E. Moore, and Chang-Qin Wu, "Controllable spin-current blockade in a Hubbard chain", Phys. Rev. B 78, 193105 (2008).Hui Zhao, Yao Yao, Zhong An, and Chang-Qin Wu, "Dynamics of polarons in conjugated polymers: An adaptive time-dependent density-matrix renormalization-group study", Phys. Rev. B 78, 035209 (2008). 出版专著和教材 在专著《有机光电材料理论与计算》中合作撰写第九章。在《Time-Dependent Density Functional Theory: Nonadiabatic Molecular Dynamics》中与同事合作撰写第九章。 科研创新 1、国际专利号：11, 084, 816；一种具有室温铁磁性的酰亚胺类化合物阴离子态材料及其应用。2、国内专利号：2018104445337；一种具有室温铁磁性的酰亚胺类化合物阴离子态材料及其应用。3、国内专利号：2021111637846；一种水溶剂处理的酰亚胺阴离子材料及其制备方法与应用。 教学活动 主讲《热力学与统计物理》、《高等量子力学》、《半导体物理与器件》、《超导物理》、《费曼物理学》、《物理学的进化》等课程。 指导学生情况 毕业博士生2名。毕业硕士生2名。在读博士生4名。在读硕士生3名。在站博士后1名。毕业去向：广西民族大学任教，南通大学任教，中山大学读博，比亚迪。 我的团队 计算凝聚态物理团队：http://www.compphys.cn/