科研成果-天津市分子光电科学重点实验室

科研Research

科研成果

简介：自2007年已发表学术论文59篇，包括Acc. Chem. Res.、J. Am. Chem. Soc.、ChemSusChem、Chem. Eur. J.、Nanoscale、Org. Electron.、J. Chem. Theory Comput.、J. Comput. Chem.、J. Alloys Compd.、J. Phys. Chem. A/B/C/L、等；其中第一作者论文20篇，通讯作者论文29篇。发表的论文被Nature、Chem. Soc. Rev.、J. Am. Chem. Soc.、Angew. Chem. Int. Ed.、等刊物引用4131次,有13篇引用超过百次，单篇最高引用440次；有7篇为ESI高被引论文；H指数为30。另外，作为第一作者还撰写了3章英文学术专著章节和1篇关于激发态氢键研究的Accounts of Chemical Research评述论文，该评述文章被评为2012年度"中国百篇最具影响国际学术论文"。与韩克利研究员共同主编一期关于电子激发态氢键研究的Physical Chemistry Chemical Physics主题专刊，并被编辑部选为"Editor’s Choice"；还被John Wiley & Sons出版社邀请共同主编了一部激发态氢键研究领域的英文专著《Hydrogen Bonding and Transfer in the Excited State》。研究工作获得2014年国家优秀青年科学基金等项目资助，部分成果在2015年获得辽宁省科学技术一等奖（第三完成人）。

[1] Guang-Jiu Zhao, Ke-Li Han, Hydrogen Bonding in the Electronic Excited State, Acc. Chem. Res. 45, 404–413 (2012). IF=22.361; Citation: 548; ESI高被引论文.

[2] Guang-Jiu Zhao, Jianyong Liu, Lichuan Zhou, Ke-Li Han, Site-selective photoinduced electron transfer from alcoholic solvents to the chromophore facilitated by hydrogen bonding: a new fluorescence quenching mechanism, J. Phys. Chem. B 111, 8940–8945 (2007). IF=3.101; Citation: 477; ESI高被引论文.

[3] Guang-Jiu Zhao, and Ke-Li Han, Early time hydrogen-bonding dynamics of photoexcited coumarin 102 in hydrogen-donating solvents: theoretical study, J. Phys. Chem. A 111, 2469–2474 (2007). IF=2.642; Citation: 376; ESI高被引论文.

[4] Guang-Jiu Zhao, and Ke-Li Han, Site-specific solvation of the photoexcited protochlorophyllide a in methanol: formation of the hydrogen-bonded intermediate state induced by hydrogen bond strengthening, Biophys. J. 94, 38–46 (2008). IF=3.711; Citation: 339; ESI高被引论文.

[5] Guang-Jiu Zhao, and Ke-Li Han, Dynamic effects of hydrogen bonding on tuning photochemistry: concerted hydrogen bond strengthening and weakening, ChemPhysChem 9, 1842–1846 (2008). IF=2.95; Citation: 267; ESI高被引论文.

[6] Guang-Jiu Zhao, and Ke-Li Han, Ultrafast hydrogen bond strengthening of the photoexcited fluorenone in alcohols for facilitating the fluorescence quenching, J. Phys. Chem. A 111, 9218–9223 (2007). Invited Article for "Sheng Hsien Lin Festschrift". IF=2.642; Citation: 249; ESI高被引论文.

[7] Fabiao Yu, Peng Li, Guangyue Li, Guang-Jiu Zhao, Tianshu Chu, Ke-Li Han, A Near-IR Reversible Fluorescent Probe Modulated by Selenium for Monitoring Peroxynitrite and Imaging in Living Cells, J. Am. Chem. Soc. 133, 11030–11033 (2011). IF=13.613; Citation: 298; ESI高被引论文.

[8] Guang-Jiu Zhao, and Ke-Li Han, Time-dependent density functional theory (TDDFT) study on the hydrogen-bonded intramolecular charge-transfer excited state of 4-dimethylamino-benzonitrile (DMABN) in methanol, J. Comput. Chem. 29, 2010–2017 (2008). IF=4.161; Citation: 209; ESI高被引论文.

[9] Guang-Jiu Zhao, and Ke-Li Han, Role of intramolecular and intermolecular hydrogen bonding in both singlet and triplet excited states of aminofluorenones on internal conversion, intersystem crossing, and twisted intramolecular charge transfer, J. Phys. Chem. A 113, 14329–14335 (2009). Invited Article for "Vincenzo Aquilanti Festschrift". IF=2.642; Citation: 182.

[10] Guang-Jiu Zhao, Brian H. Northrop, Ke-Li Han, and Peter J. Stang, The Effect of Intermolecular Hydrogen Bonding on the Fluorescence of a Bimetallic Platinum Complex, J. Phys. Chem. A 114, 9007–9013 (2010). IF=2.642; Citation: 159.

[11] Guang-Jiu Zhao, Ruikui Chen,Mengtao Sun,Guangyue Li, Jianyong Liu, Yunling Gao, Ke-Li Han, Xichuan Yang, Licheng Sun, Photoinduced intramolecular charge transfer in thiophene-π-conjugated donor-acceptor systems: combined experimental and TDDFT studies, Chem. Eur. J. 14, 6935–6947 (2008). IF=4.95; Citation: 155.

[12] Guang-Jiu Zhao, Ke-Li Han, Peter J. Stang, Theoretical insights into hydrogen bonding and its influence on the structural and spectral properties of aquo palladium(II) complexes: cis-[(dppp)Pd(H₂O)₂]²⁺, cis-[(dppp)Pd(H₂O)(OSO₂CF₃)]⁺(OSO₂CF₃)ˉ, and cis-[(dppp)Pd(H₂O)₂]²⁺(OSO₂CF₃)ˉ₂, J. Chem. Theory Comput. 5, 1955–1958 (2009). Letter IF=5.793; Citation: 123.

[13] Guang-Jiu Zhao, and Ke-Li Han, Novel infrared spectra for intermolecular dihydrogen bonding of the phenol-borane-trimethylamine complex in electronically excited state, J. Chem. Phys. 127, 024306 (2007). IF=2.952; Citation: 128.

[14] Guang-Jiu Zhao, Brian H. Northrop, Peter J. Stang, and Ke-Li Han, Photophysical properties of coordination-driven self-assembled metallosupramolecular rhomboids: experimental and theoretical investigations, J. Phys. Chem. A 114, 3418–3422 (2010). IF=2.642; Citation: 111.

[15] Shuo Chai, Guang-Jiu Zhao,* Peng Song, Songqiu Yang, Jianyong Liu, and Ke-Li Han,* Reconsideration of the excited-state double proton transfer (ESDPT) in 2-aminopyridine/acid systems: role of the intermolecular hydrogen bonding in excited states, Phys. Chem. Chem. Phys. 11, 4385–4390 (2009). IF=4.224; Citation: 143.

[16] Guangyue Li, Guang-Jiu Zhao, Yuhui Liu, Ke-Li Han, Guozhong He, TD-DFT study on the sensing mechanism of a fluorescent chemosensor for fluoride: excited-state proton transfer, J. Comput. Chem. 31, 1759–1765 (2010). IF=4.161; Citation: 122.

[17] Guang-Jiu Zhao, and Ke-Li Han, pH-controlled twisted intramolecular charge transfer (TICT) excited state via changing the charge transfer direction, Phys. Chem. Chem. Phys. 12, 8914–8918 (2010). IF=4.224; Citation: 109.

[18] Guang-Jiu Zhao, and Ke-Li Han, Excited-state electronic structures and photochemistry of heterocyclic annulated perylenes (HAPs) materials tuned by heteroatoms: S, Se, N, O, C, Si, and B, J. Phys. Chem. A 113, 4788–4794 (2009). Invited Article for "George C. Schatz Festschrift". IF=2.642; Citation: 80.

[19] Ruikui Chen, Guang-Jiu Zhao, Xichuan Yang, Xiao Jiang, Jifeng Liu,Haining Tian, Yan Gao, Ke-Li Han, Mengtao Sun, Licheng Sun, Photoinduced intramolecular charge transfer state in thiophene-π-conjugated donor-acceptor molecules, J. Mol. Struct. 876, 102–109 (2008). IF=1.784; Citation: 64.

[20] Lichuan Zhou, Guang-Jiu Zhao, Jifeng Liu, Ke-Li Han, Yunkou Wu, Xiaojun Peng, and Mengtao Sun, The charge transfer mechanism and spectral properties of a near-infrared heptamethine cyanine dye in alcoholic and aprotic solvents, J. Photochem. Photobiol. A: Chem. 187, 305–310 (2007). IF=2.68; Citation: 72.

[21] Guang-Jiu Zhao, Fabiao Yu, Mingxing Zhang, Brian H. Northrop, Haibo Yang, Ke-Li Han, Peter J. Stang, Substituent Effects on the Intramolecular Charge Transfer and Fluorescence of Bimetallic Platinum Complexes, J. Phys. Chem. A 115, 6390–6393 (2011). IF=2.693; Citation: 64.

[22] Yuhui Liu, Guang-Jiu Zhao, Guangyue Li, and Ke-Li Han, Fluorescence quenching phenomena facilitated by excited-state hydrogen bond strengthening for fluorenone derivatives in alcohols, J. Photochem. Photobiol. A: Chem. 209, 181–185 (2010). IF=2.68; Citation: 75.

[23] Lichuan Zhou, Jianyong Liu, Guang-Jiu Zhao, Ying Shi, Xiaojun Peng, and Ke-Li Han, The ultrafast dynamics of near-infrared heptamethine cyanine dye in alcoholic and aprotic solvents, Chem. Phys. 333, 179–185 (2007). IF=1.661; Citation: 62.

[24] Guang-Jiu Zhao, Yuhui Liu, Ke-Li Han, Yusheng Dou, Dynamic simulation study on ultrafast excited-state torsional dynamics of 9,9’-bianthryl (BA) in gas phase: real-time observation of novel oscillation behavior with the torsional coordinate, Chem. Phys. Lett. 453, 29–34 (2008). IF=1.615; Citation: 54.

[25] Guang-Jiu Zhao, Ke-Li Han, Yibo Lei, Yusheng Dou, Ultrafast excited-state dynamics of tetraphenylethylene (TPE) studied by semiclassical simulation, J. Chem. Phys. 127, 094307 (2007). IF=2.743; Citation: 59.

[26] Mingxing Zhang, and Guang-Jiu Zhao,* Modification of n-type organic semiconducting performance of Perylene diimides (PDIs) by substitution in different positions: Two dimension π-stacking and hydrogen bonds, ChemSusChem 5, 879–887 (2012). IF=7.575; Citation: 79.

[27] Guangyue Li, Guang-Jiu Zhao, Ke-Li Han, Guozhong He, A TD-DFT Study on the Cyanide-Chemosensing Mechanism of 8-Formyl-7-hydroxycoumarin, J. Comput. Chem. 32, 668–674 (2011). IF=4.161; Citation: 60.

[28] Songbo Wan, Shasha Liu, Guang-Jiu Zhao, Maodu Chen, Ke-Li Han, Mengtao Sun, Photoabsorption of green and red fluorescent protein chromophore anions in vacuo, Biophys. Chem. 129, 218–223 (2007). IF=1.963; Citation: 32.

[29] Changli Cheng, and Guang-Jiu Zhao,* Steered molecular dynamics simulation study on dynamic self-assembly of single-stranded DNA with double-walled carbon nanotube and graphene, Nanoscale 4, 2301–2305 (2012). IF=7.713; Citation: 75.

[30] Tianjiao Shao, Guang-Jiu Zhao,* Bin Wen, Huan Yang, Theoretical exploration of laser-parameter effects on the generation of an isolated attosecond pulse from two-color high-order harmonic generation, Phys. Rev. A 82, 063838 (2010). IF=2.678; Citation: 21.

[31] Xiaoyu Zhang, and Guang-Jiu Zhao,* Anisotropic Charge Transport in Bisindenoanthrazoline-Based n-Type Organic Semiconductors, J. Phys. Chem. C 116, 13858–13864 (2012). IF=4.691; Citation: 59.

[32] Junsheng Chen, Guang-Jiu Zhao, Timothy R. Cook, Ke-Li Han, Peter J. Stang, Photophysical Properties of Self-Assembled Multinuclear Platinum Metallacycles with Different Conformational Geometries, J. Am. Chem. Soc. 135, 6694–6702 (2013). IF=13.613; Citation: 160.

[33] Guang-Jiu Zhao,* and Changli Cheng, Molecular dynamics simulation exploration of unfolding and refolding of a ten-amino acid miniprotein, Amino Acids 43, 557–565 (2012). IF=2.946; Citation: 32.

[34] Mingxing Zhang, and Guang-Jiu Zhao,* Heteroatomic Effects on Charge-Transfer Mobility of Dianthra[2,3-b:2’,3’-f]thieno[3,2-b]thiophene (DATT) and Its Derivatives, J. Phys. Chem. C 116, 19197−19202 (2012). IF=4.691; Citation: 34.

[35] Mingxing Zhang, Shuo Chai, Guang-Jiu Zhao,* BODIPY derivatives as n-type organic semiconductors: Isomer effect on carrier mobility, Org. Electron. 13, 215–221 (2012). IF=3.243; Citation: 48.

[36] W.J.D. Beenken, Mengtao Sun, Guang-Jiu Zhao, T. Pullerits, Excited state properties of neutral and charged ter-fluorene with and without a keto-defect, Phys. Stat. Sol. B 245, 849–853 (2008). IF=1.568; Citation: 13.

[37] Junsheng Chen, Guang-Jiu Zhao, Xiaofei Sun, Songqiu Yang, Mingxing Zhang, Ke-Li Han, and Peter J. Stang, Experimental and Theoretical Study on the Photophysical Properties of 90° and 60° Bimetallic Platinum Complexes, J. Phys. Chem. A 116, 9911−9918 (2012). IF=2.642; Citation: 48.

[38] Guang-Jiu Zhao,* Xiaolv Guo, Tianjiao Shao, and Kang Xue, Attosecond pulse generation by applying a weak static electric field to a few-cycle pulse, New J. Phys. 13, 093035 (2011). IF=3.616; Citation: 15.

[39] Cuixia Yao, Guang-Jiu Zhao,* Energy-dependent stereodynamics for the H(2S)+NH(Xˉ)--> H2(X1g+)+N(4S) reaction on the improved ZH potential energy surface, Can. J. Chem. 91, 387–391 (2013). IF=0.942; Citation: 19.

[40] Wenwu Xu, and Guang-Jiu Zhao,* Stereodynamics of chemical reactions: quasi-classical, quantum and mixed quantum-classical theories, Cent. Eur. J. Phys. 10, 253–270 (2012). IF=1.012; Citation: 27.

[41] Cuixia Yao, Peiyu Zhang,* Zhixin Duan, Guang-Jiu Zhao,* Influence of collision energy on the dynamics of the reaction H(²S) + NH (X³∑^-) → N (⁴S) + H₂ (X¹∑_g⁺) by the state-to-state quantum mechanical study, Theor. Chem. Acc. 133, 1489 (2014). IF=1.707; Citation: 45.

[42] Changli Cheng, Mingzhen Zhang, Guang-Jiu Zhao,* Mechanical stability and thermal conductivity of b-barrel in green fluorescent protein by steered molecular dynamics, RSC Adv. 4, 6513–6516 (2014). IF=3.096; Citation: 21.

[43] Cuixia Yao, Guang-Jiu Zhao,* Quasiclassical trajectory theoretical study on the chemical stereodynamics of the O(1D) +H2 ->OH+H reaction and its isotopic variants (HD, D2), Chin. Phys. B 22, 083403 (2013). IF=1.066; Citation: 22.

[44] Tianjiao Shao, Guang-Jiu Zhao,* Cuixia Yao, Bin Wen, Carrier envelope phase retrieval of a multi-cycle pulse by heterodyne mixing of a pulse containing a few cycles, Laser Phys. 23, 025301 (2013). IF=0.916; Citation: 22.

[45] Hongbin Yao, Guang-Jiu Zhao,* Theoretical Investigation of the Competitive Mechanism Between Dissociation and Ionization of H₂⁺ in Intense Field, J. Phys. Chem. A 118, 9173–9181 (2014). Invited article. IF=2.642; Citation: 25.

[46] Changli Cheng, Guang-Jiu Zhao,* Tianjiao Shao, Hongbo Zhu, Control continuum bandwidth and attosecond pulse generation by infrared laser parametric source, Eur. Phys. J. D 64, 171–180 (2011). IF=1.196; Citation: 14.

[47] Cuixia Yao, Tianjiao Shao, Guang-Jiu Zhao,* Quantum wavepacket exploration of isolated high-order harmonic attosecond pulse generation: from two-color scheme to three-color scheme, J. Mod. Optics 58, 954–961 (2011). IF=1.071; Citation: 14.

[48] Jiapei Wang, Junsheng Chen, Guang-Jiu Zhao,* Steady-State and Time-Resolved Spectroscopic Investigations on the Existence of Stable Methanol/AOT/n-Heptane Reverse Micelles, J. Colloid Interface Sci. 423, 1–6 (2014). IF=4.281; Citation: 36.

[49] Yang Yang, Junsheng Chen, Jianyong Liu, Guang-Jiu Zhao, Ke-Li Han, Timothy R. Cook, Peter J. Stang, Photophysical Properties of a Post-Self-Assembly Host/Guest Coordination Cage: Visible Light Driven Core-to-Cage Charge Transfer, J. Phys. Chem. Lett. 6, 1942–1947 (2015). IF=8.48; Citation: 98.

[50] Dandan Wang, Guang-Jiu Zhao,* Cooperative Excited-state Hydrogen Bond Strengthening and Weakening and Concerted Excited‐State Proton Transfer and Twisted Intramolecular Charge Transfer of Thiazolidinedione Derivatives in Solution, Commun. Comput. Chem. 1, 181–190 (2013). IF=2.571; Citation: 36.

[51] Xiaoyu Zhang, Guang-Jiu Zhao,* Jindou Huang, Weiping Zhang,* Effects of carbon chain on hole-transport properties in naphtho[2,1-b:6,5-b0]difuran derivatives: Remarkable anisotropic mobilities, Org. Electron. 15, 3341–3348 (2014). IF=3.243; Citation: 50.

[52] Minghu Yuan, Guang-Jiu Zhao, Hongping Liu, Influence of wavelength on nonadiabatic effects in circularly polarized strong-field ionization, Phys. Rev. A 92, 053405 (2015). IF=2.678; Citation: 21.

[53] Mingxing Zhang, Guang-Jiu Zhao,* Dimerization assembly mechanism involving proton coupled electron transfer for hydrogen evolution from water by molybdenum-oxo catalyst, J. Alloys Compd. 664, 439–443 (2016). IF=3.315 ; Citation: 41.

[54] Li Zhao, Panwang Zhou,* Guang-Jiu Zhao,* Non-Adiabatic Dynamics Simulation Exploration on Wavelength-Dependent Photoinduced Relaxation Mechanism of Trans-N-1-Methyl-2-(Tolylazo) Imidazole in Gas Phase, RSC Adv. 6, 64323-64331 (2016). IF=3.096; Citation: 12.

[55] Jiapei Wang, Yu Pan, Peng Li, Guang-Jiu Zhao,* Photophysical Properties of Methyl 2-Hydroxy-3-Naphthoate (MHN23) in Different Self-Organized Supramolecular Assemblies of Micelles and Niosomes formed by Nonionic Surfactant, J. Alloys Compd. 686, 656–661 (2016). IF=3.315; Citation: 28.

[56] Li Zhao, Panwang Zhou,* Guang-Jiu Zhao,* Non-adiabatic dynamics investigation of the radiationless decay mechanism of trans-urocanic acid in the S-2 state, J. Chem. Phys. 145, 044316 (2016). IF=2.743; Citation: 21.

[57] Yan Jia, Peng Li, Wei Song, Guang-Jiu Zhao, Daoyuan Zheng, Dongmei Li, Yanni Wang, Jiayue Wang, Chunyan Li, and Keli Han*, Rational Design of a Profluorescent Substrate for S-adenosylhomocysteine Hydrolase and its Applications in Bioimaging and Inhibitor Screening, ACS Appl. Mater. Interfaces 8, 25818−25824 (2016). IF=8.284; Citation: 34.

[58] Fengshou Tian, Yan Jia, Yanan Zhang, Wei Song, Guang-Jiu Zhao, Zongjin Qu, Chunyan Li, Yahong Chen, Peng Li, A HClO-specific near-infrared fluorescent probe for determination of Myeloperoxidase activity and imaging mitochondrial HClO in living cells, Biosensors and Bioelectronics 86, 68–74 (2016). IF=7.291; Citation: 268.

[59] Hui Wu, Zhixin Duan, Shuhui Yin, Guang-Jiu Zhao,* State-resolved dynamics study of the H + HS reaction on the 3A′ and 3A″ states with time-dependent quantum wave packet method, J. Chem. Phys. 145, 124305 (2016). IF=2.743; Citation: 2.

[60] Zhang, Ai-jie; Zang, Kai-lu ; Jia, Jian-feng; Wu, Hai-shun ; Yi-Wang ; Zhao, Guang-jiu,*A time-dependent quantum dynamical study of the O(P-3) + D-2(+) -> OD+ + D reaction, CHEMICAL PHYSICS LETTERS 676, 77-81 (2017). IF=1.615; Citation:7.

[61] Zhang, Yahong; Duan, Yuping; Liu, Jia; Zheng, Daoyuan; Zhang, Mingxing; Zhao, Guangjiu,* Influence of the Halogenated Substituent on Charge Transfer Mobility of Aniline Tetramer and Derivatives: Remarkable Anisotropic Mobilities JOURNAL OF PHYSICAL CHEMISTRY C 33,17633-17640(2017). IF=4.691 Citation:20.

[62] Zhang, Yahong ;Duan, Yuping ;Song, Lulu ;Zheng, Daoyuan ; Zhang, Mingxing ;Zhao, Guangjiu,* Charge-transfer mobility and electrical conductivity of PANI as conjugated organic semiconductors JOURNAL OF CHEMICAL PHYSICS 11 (2017) IF=2.743 Citation:19.

[63] Zhang, Mingxing ; Zhang, Mingzhen; Liu, Yalan; Chen, Yan ; Zhang, Kaiyue ; Wang, Chao; Zhao, Xiaoying ; Zhou, Chenyang;Gao, Jiawei ; Xie, Xinrui; Zheng, Daoyuan ; Zhao, Guangjiu,*DFT/TDDFT theoretical investigation on the excited-state intermolecular hydrogen bonding interactions, photoinduced charge transfer, and vibrational spectroscopic properties of deprotonated deoxyadenosine monophosphate [dAMP-H](-) anion in aqueous solution: Upon photoexcitation of hydrogen-bonded model complexes [dAMP-1-1](-)-nH(2)O (n=0,1, 2, 3, 4) JOURNAL OF MOLECULAR 242，1118-1122(2017) IF=3.929 Citation:7.

[64] Zheng, Daoyuan ; Zhang, Mingzhen; Zhao, Guangjiu,* Combined TDDFT and AIM Insights into Photoinduced Excited State Intramolecular Proton Transfer (ESIPT) Mechanism in Hydroxyl-and Amino-Anthraquinone Solution SCIENTIFIC REPORTS 7(2017) IF=4.609 Citation:12.

[65] Zheng, Daoyuan ; Zhang, Mingxing; Zhao, Guangjiu,* The promotion effects of thionation and isomerization on charge carrier mobility in naphthalene diimide crystals PHYSICAL CHEMISTRY CHEMICAL PHYSICS 41，28175-28181(2017) IF=4.224 Citation:21.

[66] Zhang, Mingxing; Zhang, Mingzhen ; Zhao, Guangjiu,* Time-dependent density functional theory (TDDFT) study on the electronic spectroscopic blue-shift phenomenon and photoinduced charge transfer of firefly luciferin anion in aqueous solution: Insight into the excited-state hydrogen bond weakening mechanism JOURNAL OF LUMINESCENCE 195，116-119 (2018) IF=2.577 Citation:23.

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