近五年代表性科研论文:

[21-1] 高琨, 秦伟, 郝晓涛, 解士杰, “有机半导体激发态的量子调控”, 科学通报 (山大学百廿校庆物理学专辑), 66, doi: 10.1360/TB-2020-1545 (2021)

[21-2] Fujun Liu, Fanyao Qu, Igor Zutic, Shijie Xie, Desheng. Liu, Antonio Luciano de Almeida Fonseca, and Leandro M. Malard^⁎, Robust topological nodal-line semimetals from periodic vacancies in two-dimensional materials. J. Phys. Chem. Lett. 12, 5710-5715 (2021)

[21-3] Qiuxia Lu, Shijie Xie^⁎, Fanyao Qu, Hopping-dominated spin transport in unintentionally doped organic semiconductors, J. Phys. Chem. Lett. 12 3540-3544 (2021).

[20-1] Qiuxia Lu, Sun Yin, Teng Gao, Wei Qin, Shijie Xie^⁎, Fanyao Qu, and Avadh Saxena, Spin transport based on exchange coupling in doped organic polymers. J. Phys. Chem. Lett. 11, 1087-1092 (2020)

[20-2] Shijie Xie^⁎, Xiaohui Liu, Qiuxia Lu, Sun Yin, Spin soliton of Holstein model with spin-orbit coupling in one-dimensional conjugated polymers. arXiv:2004.12278v1

[20-3] Flavio Riche, Helena Bragança, Fanyao Qu, Victor Lopez-Richard, Shijie Xie^⁎, A. C. Dias, and Gilmar Eugenio Marques, Robust room temperature emissions of trion in darkish WSe2 monolayers: effects of dark neutral and charged excitonic states. J. Phys.: Condens. Matter 32, 365702 (2020)

[20-4] Zhen Sun^⁎, Sheng Li, Shijie Xie and Zhong An, Exploring interchain polaron pair formation in neat conjugated polymers. Eur. Phys. J. B 93, 139 (2020)

[20-5] Teng Gao, Qiuxia Lu, Wei Qin, Fanyao Qu, and Shijie Xie^⁎, Thermally-assisted charge transfer and charge separation in organic donor-acceptor solar cells. Appl. Phys. Lett. 117, 163301 (2020)

[20-6] 刘璇，高腾，解士杰^⁎, 有机半导体中极化子输运的同位素效应,《物理学报》  Acta. Phys. Sin. Vol. 69, No. 24, 246701 (2020)

[20-7] Zhen Sun^⁎, Sheng Li, Shijie Xie, and Zhong An, Polaron pair formation in neat-conjugated polymers: A surface hopping study. J. Phys. Chem. C 124, 18894-18900 (2020).

[20-8] Longlong Zhang^⁎, Yuying Hao , Yucheng Wu , Wei Qin , Xiaohui Liu , Bin Cui and Shijie Xie, Self-trapping effect on the excitonic and polaronic properties of a single-layer 2D metal-halide perovskite. 2D Mater. 7, 035020 (2020)

[20-9] Longlong Zhang, Yuying Hao, Wei Qin, Shijie Xie*, Fanyao Qu, Chiral-induced spin selectivity: A polaron transport model. Phys. Rev. B 102, 214303 (2020)

[19-1] Lijuan Xue, Bin Cui, Shijie Xie, and Sun Yin*, Influence of the Length of the Donor−Acceptor Bridge on Thermally Activated Delayed Fluorescence. Phys. Chem. Lett. 10, 302−308 (2019)

[19-2] Qiuxia Lu, Xiaolei Ma, Sun Yin, Shijie Xie*, Fanyao Qu, Strong enhanced luminous efficiency of organic light emitting diodes in molecule heterojunctions. Phys.Chem. Chem. Phys. 21, 12924-12930 (2019)

[19-3] Fanyao Qu, Helena Braganc¸Railson Vasconcelos, Fujun Liu, Shijie Xie*, and Hao Zeng, Controlling valley splitting and Polarization of dark- and bi-excitons in monolayer WS2 by a tilted magnetic field. 2D Mater. 6, 045014 (2019)

[19-4] Zhen Sun*, Sheng Li, Shijie Xie, and Zhong An, Impurity Effects on Excited-State Dynamics of Conjugated Polymers.J. Phys. Chem. C123, 21336-344 (2019)

[19-5] Qipeng Tian and Shijie Xie*, Spin Injection and Transport in Organic Materials. Micromachines, 10, 596 (2019)

[19-6] Teng Gao, Qiuxia Lu, Chong Li, Kun Gao, Shijie Xie*, Thermally-induced Exciton Diffusion and Dissociation in Organic Semiconductors. J. Phys. Chem. C 123,28527-28532 (2019)

[18-1] Sun Yin*, Kun Gao, Shijie Xie, Avadh Saxena, Effect of ferroelectricity on charge conduction in a PCBM/perovskite device structure. Org. Electron. 53, 96-100 (2018)

[18-2] Lijuan Xue, Qiuxia Lu, Shijie Xie, Sun Yin*, Influence of spin relaxation induced by molecular vibration on thermally activated delayed fluorescence. Org. Electron. 54, 161-166 (2018)

[18- 3] 孟瑞璇，卢秋霞，解士杰*, 2017年有机光电材料与器件热点回眸, Science & Technology Review, 36, 1 (2018)

[18-4] Zhen Sun*, Sheng Li, Shijie Xie, Zhong An, A study on excited-state properties of conjugated polymers using the PariserParr-Pople-Peierls model combined with configuration-interaction-singles. Org. Electron. 57, 277–284 (2018)

[18-5] Shixuan Han, Guo Ma, Shijie Xie*, Wei Qin, Shenqiang Ren, Spin polarization and organic magnetoresistance under high bias voltage. Org. Electron. 56, 37-40 (2018)

[18-6] Zhen Sun*, Sheng Li, Shijie Xie, and Zhong An, Solution for the Trivial Crossing Problem in Surface Hopping Simulations by the Classification on Excited States. J. Phys. Chem. C 122, 8058-8064 (2018)

[18-7] Ruixuan Meng, Xiaolei Ma, Liu Yang, Shijie Xie*, Improvement of singlet exciton induced by spin flip in conjugated polymers. Org. Electron. 59, 56-62 (2018)

[18-8] Longlong Zhang, Shijie Xie*, Nonlinear spin-lattice relaxation of photoexcited organic single-chain-magnet. AIP Advances 8, 075302 (2018)

[17-1] Liu Yang, Shixuan Han, Xiaolei Ma, Wei Qin and Shijie Xie*, Ferromagnetic mechanism in organic photovoltaic cells with closed-shell structure. Scientific Reports 7, 8384 (2017)

[17-2] Longlong Zhang*, Shijie Xie, Dawei Kang, Role of photoresponse of π electrons in light-driven DNA dissociations. Phys. Rev. E 96, 022414 (2017)

[17-3] Ruixuan Meng, Sun Yin, Yujun Zheng, Liu Yang, Shijie Xie*, Avadh Saxena, Phase-breaking effect on polaron transport in organic conjugated polymers. Org. Electron. 49, 33-38 (2017)

[17-4] Mengmeng Wei, Mengsi Niu, Pengqing Bi, Xiaotao Hao, Shenqiang Ren, Shijie Xie,* and Wei Qin*, Optically Controlled Magnetization and Magnetoelectric Effect in Organic Multiferroic Heterojunction. Adv. Optical Mater. 5, 1700644 (2017)

主要从事低维凝聚态系统的晶格结构、电子结构和自旋结构的理论研究。包括有机光电材料的机理研究和有机半导体材料中自旋性质相关的理论研究，如，给出了热效率和有机太阳能电池中电荷转移效率的关系；分别提出了极化子交换耦合和跃迁诱导的纯自旋流输运机理；用极化子图像解释了有机手性分子中引起的自旋选择性现象，等。目前在Appl. Phys. Lett., Phys. Rev. B, J. Phys. Chem. Lett. 和 J. Phys. Chem. C等高水平期刊上发表SCI论文百余篇，先后主持国家自然科学基金项目10项，省部级科研项目11项。