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成果及论文

📜 软件著作权

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    • 📑 基于图卷积神经网络的有机电致发光材料筛选软件,登记号:2024SR1021985
    • 📑 有机电致发光材料的分子生成设计与筛选平台,登记号:2024SR1026615
    • 📑 机器学习辅助有机电致发光材料分子生成与光物理性质预测分析软件,登记号:2024SR1498361
    • 📑 在线分子生成与特性预测助手,登记号:2024SR1746407
    • 📑 多种深度学习模型对比的TADF分子性质预测应用程序,登记号:2025SR0534653
    • 📑 基于随机SMILES字符串的分子生成应用程序,登记号:2025SR0533380
    • 📑 基于SMILES编码的Tanimoto相似性聚类分析应用程序,登记号:2025SR0533462
    • 📑 基于Transformer和VAE的分子生成软件,登记号:2025SR0533964
    • 📑 MR-TADF分子合成性预测与结构关系分析平台登记号:2025SR1309398.
    • 📑 TADF分子分析软件登记号:2025SR1546503.
    • 📑 TADF结构与性质可视化分析软件,登记号:2025SR1546513.
    • 📑 TADF分子结构编辑软件,登记号:2025SR1546573. 
    • 📑 TADF分子描述符建模与目标性质预测系统,登记号:2025SR2032639.
    • 📑 TADF文献智能检索与问答系统,登记号:2025SR2032647.
    • 📑 TADF文献结构化解析与索引系统,登记号:2025SR2032129

📜 授权专利一览


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    序号 专利名称 专利号
    1 一种一步法制备 SiC-C 复合高温涂层的方法 ZL202210628132.3
    2 带有石墨高效阻隔层的一体化筒形隔热材料的制备方法 ZL202210499838.4
    3 一种燃料电池气体扩散层低成本连续工业化生产工艺 ZL201910615722.0
    4 一种用于制备石墨烯的反应设备 ZL201821734524.3
    5 一种制备石墨烯的设备及其洗脱装置 ZL201821735504.8
    6 一种用于制备石墨烯导热膜的成膜设备 ZL201821735486.3
    7 一种石墨烯导热膜的制备方法 ZL201610292668.7
    8 金属阳离子修饰的立方相氧化锆纳米粒子的制备方法 ZL200810051125.1
    9 蒙脱土负载银和二氧化钛纳米粒子复合光催化剂的制备方法 ZL200910050449.8
    10 高温熔融盐插层瞬间膨胀法制备低缺陷石墨烯粉体的方法 ZL202411346120.7

📚 发表 SCI 论文

2025

102.Harnessing a remote synergistic effect for regulating photoinduced electron transfer: a novel strategy for absorption/fluorescence dual-mode hydrochromism

Junli Gao#, Qiang Gao#, Jinyan Zhang#, Tianyou Qin, Fanyu Kong, Yifei Liu, Lu-Yi Zou*, Sean Xiao-An Zhang and Lan Sheng*

 Mater. Chem. Front., 2025, 9, 2078-2086.

101.Carbon-Based 3D Array-Reinforced Thermal Interface Materials with Highly Oriented Structure and Superior Thermal Conductivity

Sijin Yan, Jie Zhang, Zenghui Qu, Yunqiang Guo, Xiaoyang Feng, Shibo Qu, Tongshun Wu*, Luyi Zou*

Carbon, 2025, 244, 120693.

100.Construction of PI-Enhanced Graphene Network Phase Change Materials for Thermal Management Performance via Synergetic Strategy of Porous Confinement-Shrinkage Densification

Jie Zhang, Sijin Yan, Yunqiang Guo, Zenghui Qu, Xiaoyang Feng, Qingbo An*, Luyi Zou*, Tongshun Wu*

Polymer, 2025, 336, 128937.

99.Overcoming the Spin-Orbit Coupling Limitation: Cooperative Singlet-Triplet Energy Gap and Reorganization Energy Engineering for High-Efficiency Thermally Activated Delayed Fluorescence in Carbene-Cu(I)-Amide Systems

Tengfei He1, Zihan Zhang1, Lifang Yin1, Yi Zhao, Mengnan Zhao, Qiang Gao, Yajun Yin, Yufei Yang, Tongshun Wu*, Luyi Zou*

Chemical Research in Chinese Universities, 2025, 41, 1133-1143.

98.Prediction of Key Properties in Multiple Resonance Thermally Activated Delayed Fluorescence Materials Using Lightweight Feature Encoding

Yajun Yin1, Lifang Yin1, Yi Zhao1, Qiang Gao, Yufei Yang, Tengfei He, Zihan Zhang, Jifen Wang*, Tongshun Wu, Luyi Zou* 

Chemical Research in Chinese Universities, 2025, 41, 1173-1185.

97.Mechanistic Insights into S-Doped g-C3N4 for Enhanced Photocatalytic Performance: A Theoretical Study 

Yufei Yang1, Yi Zhao1, Lifang Yin1, Jiaying Zhao, Qiang Gao, Tan Su, Heyang Zhang, Yajun Yin, Zhongmin Su*, Luyi Zou*  

Chemical Research in Chinese Universities, 2025, 41, 1067-1075.

96.Editorial of Special Column on Commemorating the 110th Anniversary of TANG Au-chin's Birthday

Luyi Zou*, Zhongyuan Lu*, Zhongmin Su*, 

Chemical Research in Chinese Universities, 2025, 41, 993-995.

95. Rapid charge transfer endowed by heteroatom- and bonded Z-Scheme van der Waals heterojunction for boosting photocatalytic hydrogen evolution

Weinan Xing, Weifan Shao, Yingfu Li, Huage Lin, Jiangang Han, Luyi Zou*, Ran Jia*, Guangyu Wu*

Small, 2025,21, 2412036.

94. Enhancing Bi-directional Thermal Conductivity: A Novel Tri-layer Graphene-Liquid Metal Composite for Advanced Thermal Management

Jie Zhang, Sijin Yan, Qingbo An, Tongshun Wu*, Luyi Zou*

Composites Communications, 2025, 55, 102319.

93. Synergistic Double-Doped Elastic Composites for Durable, Ultra-Flexible Sign Language Translation Sensors

Tongshun Wu, Luyi Zou*

Polymer Composites, 2025,46,11808-11819. 

92. Diluent modified weakly solvating electrolyte for fast-charging high-voltage lithium metal batteries

Haining Peng, Huijun Liu*, Chengzong Li, Yingfu Li, Qizhi Chen, Tao Li*, (Acknowledgment Luyi Zou)

Chinese Chemical Letters, 2025, 36, 109556.

2024

91. SOGCN: Prediction of key properties of MR-TADF materials using graph convolutional neural networks
Yingfu Li1, Bohua Zhang1, Ai-Min Ren, Dongdong Wang, Jun Zhang*, Changming Nie*, Zhongmin Su, Luyi Zou*
Chemical Engineering Journal, 2024, 501, 157676.

90. Theoretical Investigation and Molecular Design: A Series of Tripod-Type Cu(I) Blue Light Thermally Activated Delayed Fluorescence Materials
Zi-Kang Zhao, Teng-Fei He, Qiang Gao, Ai-Min Ren, Tong-Shun Wu*, Jing-Fu Guo, Hui-Ying Chu, Zhong-Min Su, Hui Li, Luyi Zou*
Inorg. Chem., 2024, 63, 17435-17448.

89. Theoretical explore of bridge and donor engineering for novel naphthalimide based photosensitizers for two-photo photodynamic therapy

Wei-Bo Cui, Xue Wei, Feng-Yi Sun, Luyi Zou, Jing-Fu Guo, Xue-Li Hao, Hui Li, Ai-Min Ren*, Song Wang*
Dyes and Pigments, 2024, 222, 111841.

88. In-depth theoretical analysis for the influence of external electric field on charge transfer parameters
Guiya Qin, Xiaoqi Sun, Rui Wang, Jingfu Guo, Jianxun Fan, Hui Li, Luyi Zou, Aimin Ren*
Chem. Sci., 2024, 15, 4403.

87. Theoretical Investigation of Novel Nitrogen-Heterocyclic Iridium(III) Polypyridyl Complexes as Photosensitizers for Two-Photon Photodynamic Therapy
Fengyi Sun, Xue Wei, Weibo Cui, Jingfu Guo, Hui Li, Luyi Zou, Aimin Ren*
J. Med. Chem., 2024, 67, 18157.

86. A flexible thermal interface composite of copper-coated carbon felts with 3d architecture in silicon rubber
Jie Zhang, Zijia Kong, Qingbo An*, Tongshun Wu*, Luyi Zou
Polymer, 2024, 313, 127747.

2023

85.Theoretical study of the tuning role of β-methylthio or β-methylselenyl on the charge-transport properties of acenedithiophenes derivatives

Huiyuan Li, Guiya Qin, Panpan Lin, Xiaoqi Sun, Jianxun Fan, Rui Wang, Hui Li, Luyi Zou, Jingfu Guo, Aimin Ren*

Phys. Chem. Chem. Phys., 2023, 25, 10313-10324.

84. Self-Consistent Quantum Mechanics/Embedded Charge Study on Aggregation-Enhanced Delayed Fluorescence of Cu(l) Complexes: Luminescence Mechanism and Molecular Design Strategy
Yun-Li Zhang, Teng-Fei He, Zi-Kang Zhao, Ao Shen, Qiang Gao, Ai-Min Ren, Zhong-Min Su, Hui Li, Hui-Ying Chu, Luyi Zou*
Inorg. Chem., 2023, 62, 7753-7763.

83. Selective separation of thorium and uranyl in phases of different polarity using novel benzoxazole-based ligands: A DFT study
Ying-Fu Li, Xiang-He Kong, Ming-Jie Ma, Ai-Min Ren, Tong-Shun Wu, Hui-Ying Chu, Hui Li, Chang-Ming Nie*, Lu-Yi Zou*
J. Mol. Liq., 2023, 390, 123108.

82. The effect of heteroatoms at end groups of anthracene derivatives on the photoelectric properties and crystal/film morphology: a theoretical perspective
Gui-Ya Qin, Xiao-Qi Sun, Pan-Pan Lin, Xue Wei, Jing-Fu Guo, Wei-Bo Cui, Jian-Xun Fan, Hui Li, Lu-Yi Zou, Ai-Min Ren
Journal of Materials Chemistry C, 2023, 11, 13018-13029.

81. Molecular Design of Highly Efficient Heavy-Atom-free NpImidazole Derivatives for Two-Photon Photodynamic Therapy and ClO− Detection
Weibo Cui, Xue Wei, Jinghu Guo, Xueli Hao, Luyi Zou, Song Wang*, Hui Li, Zhongmin Su, Aimin Ren*
J. Chem. Inf. Model., 2023, 63, 4392-4404.

2022

80. Photophysical Exploration of Zn(II) Polypyridine Photosensitizers in Two-Photon Photodynamic Therapy: Insights from Theory
Xue Wei, Xuehui Guo, Jingfu Guo, Tengfei He, Guiya Qin, Luyi Zou, Aimin Ren*
Inorg. Chem., 2022, 61, 18729-18742.

2021

79.  Impact of ΔEst on Delayed Fluorescence Rate, Lifetime and Intensity Ratio of Tetrahedral Cu(I) Complexes: Theoretical Simulation in Solution and Solid Phases
Tengfei He, Aimin Ren, Guohui Li, Zexing Qu, Jingfu Guo, Xueli Hao, Yuannan Chen, Lu Shen, Yunli Zhang, Luyi Zou*
Journal of Physical Chemistry Letters, 2021, 12, 2232-2244.

78. Efficient and inexpensive preparation of graphene laminated film with ultrahigh thermal conductivity
Tongshun Wu, Youliang Xu, Haoyu Wang, Zhonghui Sun, Luyi Zou*
Carbon, 2021, 171, 639-645.

77. Unveiling the effects of substituents on the packing motif and the carrier transport of dinaphtho-thieno-thiophene (DNTT)-based materials
Panpan Lin, Guiya Qin, Jingfu Guo, Bohua Zhang, Huiyuan Li, Luyi Zou, Aimin Ren*
New J. Chem., 2021, 45, 11552.

76. Theoretical Design Study on the Origin of the Improved Phosphorescent Efficiency of DPEphos Quinoline-Substituted Derivatives for OLEDs
Yuan-Nan Chen, Teng-Fei He, Yan-Xiang Cheng, Hong-Mei Zhan, Ai-Min Ren, Tong-Shun Wu, Bo-Hua Zhang, Yun-Li Zhang, Hong-Xing Zhang, Lu-Yi Zou*
Org. Electron., 2021, 97, 106185.

75. From Luminescence Quenching to High-efficiency Phosphorescence: A Theoretical Study on the Monomer to Dimer of Platinum (II) Complexes with Both 2‑Pyridylimidazol-2-ylidene and Bipyrazolate Chelates
Bohua Zhang, Junan Li, Min Wang, Aimin Ren, Tengfei He, Panpan Lin, Yunli Zhang, Xiaoyue Xi, Luyi Zou*
Phys. Chem. Chem. Phys., 2021, 23, 5652-5664.

2020

74. Molecular-Level Insight of Cu(I) Complexes with the 7,8-Bis(diphenylphosphino)-7,8-dicarba-nido-undecaborate Ligand as a Thermally Activated Delayed Fluorescence Emitter: Luminescent Mechanism and Design Strategy
Tengfei He, Aimin Ren, Yuannan Chen, Xueli Hao, Lu Shen, Bohua Zhang, Tongshun Wu, Hongxing Zhang, Luyi Zou*
Inorg. Chem., 2020, 59(17), 12039-12053.

73. A study on the modification of azole rings to regulate the transition dipole moment, MLCT and T1 structural distortion of 2-pyridyl-azole copper (I) complexes for high phosphorescence performance
Lu Shen, Tengfei He, Luyi Zou*, Jingfu Guo, Aimin Ren*
Org. Electron., 2020, 81, 105664.

72. The roles of heteroatoms and substituents on the molecular packing motif from herringbone to pi-stacking: A theoretical study on electronic structures and intermolecular interaction of pentacene derivatives
Panpan Lin, Guiya Qin, Ningxi Zhang, Jianxun Fan, Xueli Hao, Luyi Zou*, Aimin Ren*
Org. Electron., 2020, 78, 105606.

2019

71. Theoretical Investigations on the Photophysical Properties for a Series of Symmetrical and Asymmetrical Carbazole-Based Cationic Two-Photon Fluorescent Probes: The Magic of Methyl Groups
Xueli Hao, Jingfu Guo, Luyi Zou, Aimin Ren*
J. Phys. Chem. C, 2019, 123(14): 9407-9419.

70. Design Strategies for High-Efficiency Ratiometric Two-Photon-Excited Fluorescent and Room-Temperature Phosphorescent Probes for Hypochlorous Acid
Xueli Hao, Jingfu Guo, Tengfei He, Panpan Lin, Luyi Zou, Libo Yu, Xuehui Guo, Ai-min Ren*
J. Phys. Chem. C, 2019, 123(41): 25385-25393.

69. Theoretical Investigations into the Electron and Ambipolar Transport Properties of Anthracene-Based Derivatives
Guiya Qin, Jianxun Fan, Ningxi Zhang, Panpan Lin, Shoufeng Zhang, Luyi Zou, Aimin Ren
J. Phys. Chem. A, 2019, 123(15): 3300-3314.

2018

68. Theoretical Study of Radiative and Nonradiative Decay Rates for Cu(I) Complexes with Double Heteroleptic Ligands
Yuannan Chen, Aimin Ren, Zhongyue Yang, Tengfei He, Xiaoli Ding, Hongxing Zhang, Luyi Zou*
Phys. Chem. Chem. Phys., 2018, 20, 9419-9428.

67. Molecular dynamics of the two-stage mechanism of cyclopentadiene dimerization: concerted or stepwise?
Zhongyue Yang, Luyi Zou, Yanmin Yu, Fengjiao Liu, Xiaofei Dong, Kendall N. Houk*
Chem. Phys., 2018, 514, 120-125.

66. A theoretical investigation on the neutral Cu(I) phosphorescent complexes with azole-based and phosphine mixed ligand
Xiao-Li Ding, Lu Shen, Luyi Zou, Ming-Shuo Ma, Ai-Min Ren*
Molecular Physics, 2018, 116, 898-909.

65. Synthesis, characterization and photophysical properties of homoleptic platinum(II) complexes with 2,2 '-biimidazole-based ligands
Hui Li, Wei Yuan, Luyi Zou, Xingdong Wang, Hongmei Zhan*, Yanxiang Cheng*
Transition Metal Chemistry, 2018, 43(3), 231-241.

64. New insight into the effects of N^N ligand isomerization and methyl modification on the phosphorescence properties of Cu(I) complexes with (1-(2-pyridyl)pyrazole/imidazole) ligands
Lu Shen, Xiao-li Ding, Teng-fei He, Xue-li Hao, Jing-fu Guo, Luyi Zou, Ai-min Ren*
New J. Chem., 2018, 42, 3660-3670.

63. Teaching an Old Carbocation New Tricks: Intermolecular C-H insertion reactions of vinyl cations
Stasik Popov, Brian Shao, Alex L. Bagdasarian, Tyler R. Benton, Luyi Zou, Zhongyue Yang, K. N. Houk*, Hosea M. Nelson*
Science, 2018, 361, 381-389.

2017

62. Effect of carbon-layer rearrangement on one-and two-photon absorption properties in the alternative graphene-like hybrids–A theoretical investigation
Li Zhang, Luyi Zou, Jingfu Guo, Jikang Feng, Aimin Ren
Dyes Pigments, 2017, 138, 213-222.

61. A theoretical investigation and design of fluorescent probes with large two-photon absorption cross-sections and dual signaling behavior for mercury ions in biological system
Chun Zhang, Luyi Zou, Dan Wang, Li Zhang, Aimin Ren*
J. Photoch. Photobio. A: Chem., 2017, 332, 440-452.

60. A theoretical investigation of a series of novel two-photon zinc ion fluorescent probes based on bipyridine
Dan Wang, Aimin Ren*, Luyi Zou, Jingfu Guo, Shuanghuang
J. Photochem. and Photobio. A: Chem., 2017, 341, 20-30.

59. Theoretical investigation on the phosphorescence quantum yields of cyclometalated (C^N*) Pt(II) (acac) complexes: The impact of the position of the BMes2 moiety on the radiative and nonradiative decay processes
Mingshuo Ma, Aimin Ren, Luyi Zou, Lu Shen, Xiaoli Ding, Yan Li, Hongxing Zhang
Org. Electron., 2017, 51, 38-47.

58. A theoretical study of phosphorescent Cu(I) complexes with 2-(2'quinolyl)imidazole and POP mixed ligands
Tengfei He, Aimin Ren, Shuming Chen, Zhongyue Yang, Peiyuan Yu, Yuannan Chen, Xiaoli Ding, Lu Shen, Hongxing Zhang, Luyi Zou*
Org. Electron., 2017, 45, 9-19.

2016

57. Theoretical study on the neutral and ionic Cu(I) phosphorescent complexes with 2-(2’-quinolyl) benzimidazole and phosphine mixed ligand
Xiaoli Ding, Luyi Zou*, Mingshuo Ma, Hongxing Zhang, Yanxiang Cheng, Aimin Ren*
Org. Electron., 2016, 31, 111-119.

56. Theoretical Studies on Photophysical Properties of Isomeric Iridium(III) Complexes Ir(ppy)(2)(acac) Containing Dimesitylboron Moiety
Mingshuo Ma, Luyi Zou, Yan Li, Aimin Ren, Xiaoli Ding
Acta Chim Sinica, 2016, 74, 764-772.

55. Theoretical investigation on the one- and two-photon responsive behavior of fluoride ion probes based on diketopyrrolopyrrole and its π-expanded derivatives
Li Zhang, Luyi Zou, Jingfu Guo, Aimin Ren
New J. Chem., 2016, 40, 4899-4910.

2015

54. An isomeric strategy for enhancing phosphorescence efficiency of iridium(III) complexes with N-heterocyclic naphthyridine ligands: A theoretical study
Mingshuo Ma, Luyi Zou, Yan Li, Aimin Ren*, Jikang Feng
Org. Electron., 2015, 22, 180–190.

53. A theoretical study of a series of novel two-photon nitric oxide (NO) fluorescent probes based on BODIPY
Li Zhang, Luyi Zou, Jingfu Guo, Dan Wang, Aimin Ren*
New J. Chem., 2015, 39(11), 8342-8355.

52. Computational design of a two-photon excited FRET-based ratiometric fluorescent Cu2+ probe for living cell imaging
Dan Wang, Aimin Ren*, Jingfu Guo, Luyi Zou, Shuang Huang
RSC Adv., 2015, 5(115), 98144-98153.

2014

51. A theoretical analysis of the phosphorescence efficiencies of Cu(Ι) complexes
Luyi Zou, Yanxiang Cheng, Yan Li, Hui Li, Hongxing Zhang, Aimin Ren*
Dalton Trans., 2014, 43(29), 11252-11259.

50. Theoretical study of two-photon absorption properties of a series of platinum(Ⅱ)  acetylide complexes
Dan Wang, Luyi Zou, Shuang Huang, Jikang Feng, Aimin Ren*
Dyes Pigments, 2014, 105, 75-88.

49. Theoretical investigations on one- and two-photon absorptions for a series of covalently functionalized hybrid materials based on graphene
Li Zhang, Luyi Zou, Jingfu Guo, Aimin Ren
New J. Chem., 2014, 38, 5391-5401.

48. Are Triphenylamine-Functionalized or Carbazole-Functionalized Iridium Complexes the More Effective Phosphorescent Materials? A Theoretical Perspective
Yan Li, Luyi Zou, Aimin Ren*, Mingshuo Ma, Jianxun Fan
Chem. Eur. J., 2014, 20(16), 4671-4680.

47. Charge Transport and Fluorescence Properties of a Series of Red-emitting Materials Based on Benzothiadiazole and Silafluorene
Yan Li, Luyi Zou, Aimin Ren*
Acta Phys. Chim. Sin., 2014, 30(5), 855-865.

46. Design, Synthesis, and Optoelectronic Properties of Dendrimeric Pt(II) Complexes and Their Ability to Inhibit Intermolecular Interaction
Hui Li, Jing Li, Junqiao Ding, Wei Yuan, Zilong Zhang, Luyi Zou, Xingdong Wang, Hongmei Zhan*, Zhiyuan Xie, Yanxiang Cheng, Lixiang Wang
Inorg. Chem., 2014, 53(2), 810-821.

45. A carbon-based photocatalyst efficiently converts CO2 to CH4 and C2H2 under visible light
Tongshun Wu, Luyi Zou, Dongxue Han*, Fenghua Li, Qixian Zhang, Li Niu
Green Chem., 2014, 16, 2142-2146.

2013

44. Theoretical studies on the electronic structures and optical properties of star-shaped triazatruxene/heterofluorene co-polymers
Zilong Zhang, Luyi Zou, Aimin Ren*, Yingfang Liu, Jikang Feng, Chiachung Sun
Dyes Pigments, 2013, 96(2), 349–363.

43. Computational design of two-photon fluorescent probes for a zinc ion based on a Salen ligand
Shuang Huang, Luyi Zou, Aimin Ren*, Jingfu Guo, Xiaoting Liu, Jijang Feng, Baozhu Yang
Inorg. Chem., 2013, 52(10), 5702-5713.

42. The Effect of Micro-Environment on Luminescence of Aequorin: The Role of Amino Acids and Explicit Water Molecules on Spectroscopic Properties of Coelenteramide
Zuosheng Li, Luyi Zou, Chungang Min, Aimin Ren*
J. Photoch. Photobio. B: Biology, 2013, 127, 94–99.

41. The Dynamics Simulation and Quantum Calculation Investigation about Luminescence Mechanism of Coelenteramide

Zuosheng Li, Xi Zhao, Luyi Zou, Aimin Ren*
Photochem. Photobiol., 2013, 89(4), 849-855.

40. The Fluorescent Properties of Coelenteramide, a Substrate of Aequorin and Obelin
Chungang Min, Zuosheng Li, Aimin Ren*, Luyi Zou, Jingfu Guo, John D. Goddard
J. Photoch. Photobio. A: Chem., 2013, 251: 182-188.

2012

39.TDDFT investigation of fluorescence properties of luciferin and oxyluciferin analogs bearing an amino group, 

Zuosheng Li, Chungang Min, Aimin Ren*, Luyi Zou, Zhong Xu, 

J. Photoch. Photobio. A: Chem, 2012, 243: 7-16.

38. Theoretical study on photophysical property of cuprous bis-phenanthroline coordination complexes
Luyi Zou, Mingshuo Ma, Zilong Zhang, Hui Li, Yanxiang Cheng*, Aimin Ren*
Org. Electron., 2012, 13(11), 2627–2638.

37. Theoretical study on the electronic structures and photophysical properties of a series of dithienylbenzothiazole derivatives
Yan Li, Luyi Zou, Aimin Ren*, Jikang Feng
Comput. Theor. Chem., 2012, 981, 14-24.

36. Theoretical Investigations on Electronic Structures and Photophysical Properties of Novel Bridged Triphenylamine Derivatives
Zilong Zhang, Luyi Zou, Aimin Ren*, Chungang Min, Ying Sun, Yingfang Liu
Int. J. Quantum Chem., 2012, 112(5), 1473–1490.

35. A theoretical study of ring size effect on One- and Two-photon absorption properties of macrocyclic thiophene derivatives
Shuang Huang, Luyi Zou, Aimin Ren*, Jingfu Guo*, Xiaoting Liu, Jikang Feng
New J. Chem., 2012, 36(4), 947–953.

34. Fine tuning of the one-and two-photon absorption properties of macrocyclic thiophene-based derivatives
Shuang Huang, Luyi Zou, Aimin Ren*, Yang Zhao, Xiaoting Liu, Jingfu Guo*, Jikang Feng
Dyes Pigments, 2012, 93(1-3), 1519-1531.

33. Theoretical Study of the Electronic Spectral Property of Firefly Oxyluciferin Analogues
Zuosheng Li, Luyi Zou, Aimin Ren*, Jikang Feng
Chem. J. Chinese U, 2012, 33(12), 2757-2764.

32. An Efficient Strategy for Designing n-Type Organic Semiconductor Materials — Introducing Six-Membered Imide Ring into Aromatic Diimides
Xiankai Chen, Luyi Zou, Jingfu Guo, Aimin Ren*
J. Mater. Chem., 2012, 22(13), 6471–6484.

31. Theoretical Study on Optoelectronic Properties of Fluorene Derivatives with Pyrene-Functional groups: Effect of the Heteroatoms and Pyrene' Substituting Position
Xiankai Chen, Luyi Zou, Aimin Ren*, Yingfang Liu, Yan Li, Jianxun Fan
Mol. Phys., 2012, 110(3), 163-172.

30. Effect of Dihydropyrazine on Structures and Charge Transport Properties of N-Heteropentacenes Matters: A Theoretical Investigation
Xiankai Chen, Luyi Zou, Jianxun Fan, Shoufeng Zhang, Aimin Ren*
Org. Electron, 2012, 13(12), 2832-2842.

29. Computational study of the electronic structures, UV-Vis spectra and static second-order nonlinear optical susceptibilities of macrocyclic thiophene derivatives
Shuang Huang, Aimin Ren*, Luyi Zou, Yang Zhao, Jingfu Guo*, Jikang Feng
J. Mol. Model, 2012, 18(1), 393-404.

28. Synthesis and characterisation of neutral mononuclear cuprous complexes based on dipyrrin derivatives and phosphine mixed-ligands
Xiaohui Liu, Hongmei Nan*, Wei Sun, Qikai Zhang, Mingjian Zhan, Luyi Zou, Zhiyuan Xie, Xiao Li, Canzhong Lu, YanXiang Cheng*
Dalton Trans, 2012, 41(34): 10199-10210.

27. Neutral cuprous complexes as ratio metric oxygen gas sensors
Xiaohui Liu, Wei Sun, Luyi Zou, Zhiyuan Xie, Xiao Li*, Canzhong Lu, Lixiang Wang, Yanxiang Cheng*
Dalton Trans, 2012, 41(4), 1312–1319.

2011

26. Theoretical design study on photophysical property of the organoboron quinolate derivatives
Luyi Zou, Aimin Ren*, Xueqin Ran, Xuefeng Ren, Jikang Feng
Theor. Chem. Acc., 2011, 129(1), 63-71.

25. Theoretical investigation of charge injection and transport properties of novel organic semiconductor materials-cyclic oligothiophenes
Xiankai Chen, Luyi Zou, Shuang Huang, Chungang Min, Aimin Ren*, Jikang Feng, Chiachung Sun
Org. Electron, 2011, 12(7), 1198-1210.

24. How dual bridging atoms tune structural and optoelectronic properties of ladder-type heterotetracenes? — a theoretical study
Xiankai Chen, Luyi Zou, Aimin Ren*, Jianxun Fan
Phys. Chem. Chem. Phys., 2011, 13(43), 19490-19498.

23. Theoretical Investigation of One- and Two-Photon Spectra of Pyrazabole Chromophores
Xiaoting Liu, Luyi Zou, Aimin Ren*, Jingfu Guo, Ying Sun, Shuang Huang, Jikang Feng
Theor. Chem. Acc., 2011, 130(1), 37-50.

22. The Effect of Explicit Water Molecules on the Color-Tuning Mechanism of the Firefly
Chungang Min, Luyi Zou, Ying Sun, Jingfu Guo, Aimin Ren*, John D. Goddard
Chinese J. Chem, 2011, 29(11), 2301-2307.

21. Computational study of the one- and two-photon absorption properties of macrocyclic thiophene derivatives
Shuang Huang, Aimin Ren*, Luyi Zou, Yang Zhao, Jingfu Guo*, Jikang Feng
Dyes Pigments, 2011, 91(2), 248-257.

20. Structural, electronic, and optical properties of doubly ortho-linked quinoxaline/diphenylfluorene hybrids
Xueqin Ran, Jikang Feng*, Luyi Zou, Aimin Ren, Chiachung Sun
J. Phys. Org. Chem, 2011, 24(8), 646-656.

19. A theoretical study on magnesium ion-selective two-photon fluorescent probe based on benzo [h] chromene derivatives
Yang Zhao, Aimin Ren*, Luyi Zou, Jingfu Guo, Jikang Feng
Theor. Chem. Acc., 2011, 130(1), 61-68.

18. Theoretical Study on Photophysical Properties of 2,1,3-benzothiadiazole-based Star-shaped molecules
Yingfang Liu, Xuefeng Ren, Luyi Zou, Aimin Ren*, Jikang Feng, Chiachung Sun
Theor. Chem. Acc., 2011, 129(6), 833-845.

17. A Promising Approach to Obtain Excellent n-Type Organic Field-Effect Transistors: Introducing Pyrazine Ring
Xiankai Chen, Jingfu Guo, Luyi Zou, Aimin Ren*, Jianxun Fan
J. Phys. Chem. C, 2011, 115(43), 21416-21428.

16. The formation and decomposition of firefly dioxetanone
Chungang Min, Aimin Ren*, Xiaona Li, Jingfu Guo, Luyi Zou, Ying Sun, John D. Goddard, Chiachung Sun
Chem. Phys. Lett, 2011, 506(4-6): 269-275.

2010

15. Theoretical design study on photophysical property of the B-N derivatives for OLED applications
Luyi Zou, Zilong Zhang, Aimin Ren*, Xueqin Ran, Jikang Feng
Theor. Chem. Acc., 2010, 126(5-6), 361-369.

14. Fluorene-based Oligomers as Red Light-emitting Materials: A Density Functional Theory Study
Xuefeng Ren, Aimin Ren*, Luyi Zou, Jikang Feng
Theor. Chem. Acc., 2010, 126(5-6), 305-314.

13. Theoretical investigation on the origin of yellow-green firefly bioluminescence by time dependent density functional theory
Chungang Min, Aimin Ren*, Jingfu Guo, Luyi Zou, John D. Goddard, Chiachung Sun
Chem. Phys. Chem., 2010, 11(10): 2199-2204.

12. Theoretical Investigation of the Key Reaction for the Chemiluminescence of Cypridina Luciferin Analogues
Ying Sun, Aimin Ren*, Chungang Min, Luyi Zou, Xuefeng Ren
Acta Phys. Chim. Sin., 2010, 26(10): 2779-2786.

11. A Time-Dependent Density Functional Theory Investigation on the Origin of Red Chemiluminescence
Chungang Min, Aimin Ren*, Jingfu Guo, Zhongwei Li, Luyi Zou, John D. Goddard, Jikang Feng
Chem. Phys. Chem., 2010, 11(1): 251-259.

10. Optical and Electronic Properties of Doubly Ortho-linked cis-4,4′-Bis(diarylamino)stilbene/Fluorene Hybrids
Yanling Liu, Xueqin Ran, Jikang Feng*, Aimin Ren, Luyi Zou
Aust. J. Chem., 2010, 63(1): 125-130.

2009

9. Effect of Surface Cations on Photoelectric Conversion Property of Nanosized Zirconia
Tongshun Wu, Kaixue Wang, Luyi Zou, Xinhao Li, Ping Wang, Dejun Wang, Jiesheng Chen*
J. Phys. Chem. C, 2009, 113, 9114-9120.

8. Structural, Electronic and Optical Properties of Phenol-Pyridyl Boron Complexes for Light-Emitting Diodes
Luyi Zou, Aimin Ren*, Jikang Feng, Xueqin Ran, Yanling Liu, Chiachung Sun
Int. J. Quantum Chem., 2009, 109(7), 1419-1429.

7. Theoretical Study on Photophysical Properties of Ambipolar Spirobifluorene Derivatives as Efficient Blue-Light-emitting Materials
Xueqin Ran, Jikang Feng*, Aimin Ren, Wenchao Li, Luyi Zou, Chiachung Sun
J. Phys. Chem. A, 2009, 113(27): 7933-7939.

6. Theoretical Studies on the Electronic and Optical Properties of Arene-versus Fluoroarene-Thiophene Co-oligomer
Xueqin Ran, Jikang Feng*, Aimin Ren, Weiquan Tian, Luyi Zou, Yanling Liu, Chiachung Sun
J. Phys. Org. Chem, 2009, 22(7): 680-690.

5. Theoretical design study on multifunctional triphenyl amino-based derivatives for OLEDs
Luyi Zou, Aimin Ren*, Jikang Feng, Xueqin Ran
J. Phys. Org. Chem., 2009, 22(11), 1104-1113.

2008

4. Theoretical Study on Structural, Electronic, and Optical Properties of Ambipolar Diphenylamino End-capped Oligofluorenylthiophenes and Fluoroarene-thiophene as Light-emitting Materials
Xueqin Ran, Jikang Feng*, Yanling Liu, Aimin Ren, Luyi Zou, Chiachung Sun
J. Phys. Chem. A, 2008, 112(43): 10904-10911.

3. Theoretical Study on Photophysical Properties of Multifunctional Electroluminescent Molecules with Different π-Conjugated Bridges
Luyi Zou, Aimin Ren*, Jikang Feng*, Yanling Liu, Xueqin Ran, Chiachung Sun
J. Phys. Chem. A, 2008, 112(47), 12172-12178.

2. TDDFT Study of the electronic structure, absorption and emission spectra of the light emitters of the Amazing Firefly Bioluminescence and salvation effects on the spectra
Aimin Ren*, Jingfu Guo, Jikang Feng, Luyi Zou, Zhongwei Li, John D. Goddard
Chin. J. Chem, 2008, 26(1): 55-64.

2007

1. Theoretical Investigation on Electronic Structure and Optical Properties of Polyfluorene by Copolymerization with Dibenzothiophene
Bin Liu, Jikang Feng*, Aimin Ren, Li Yang, Luyi Zou
Acta Chim. Sinica, 2007, 65(8): 673-677.