徐红亮

项目：
1. 理论研究Pt(II)炔基配合物的结构和非线性光学性质的构效关系，省、市、自治区科技项目，2023年
2. 外电场调控平面自由基衍生物的层间电荷转移设计新型的非线性光学分子开关材料，省、市、自治区科技项目，2021年
3. 极性分子内掺杂碳纳米空腔诱导电荷转移和非线性光学性质，国家自然科学基金项目，2017年
4. 碳纳米空腔体系的内诱导电荷转移和非线性光学性质，国家自然科学基金项目，2014年
5. 内掺杂碳纳米空腔诱导体系的电荷转移以及非线性光学性质研究，省、市、自治区科技项目，2014年
6. 修饰纳米管构造品优的非线性光学材料分子，主管部门科技项目，2011年
7. 修饰纳米管构造高性能的非线性光学材料分子，省、市、自治区科技项目，2010年
8. 修饰纳米管构造高性能的非线性光学材料分子（NSFC），国家自然科学基金项目，2010年
9. 纳米管电子化合物的结构与非线性光学性质研究，其他课题，2010年
论文：
1. Borate-containing triblock copolymer electrolytes for improved lithium-ion transference number and interface stability，JOURNAL OF COLLOID AND INTERFACE SCIENCE，2024年
2. Alkali metals doping into open-cage fullerenes: Novel alkalides (M+@C50N5H5)M'- with large nonlinear optical responses，J MOL LIQ，2023年
3. Synthesis of sulfonylcalix[4]arene complexes and research on electrochemical detection of rutin by the composites of the complexes with multi-walled carbon nanotubes，CHEMICAL ENGINEERING JOURNAL，2023年
4. Acid/Base-driven visualized molecular hinge for advanced information encryption，CHEMICAL ENGINEERING JOURNAL，2023年
5. The change of hydrogen position on π-conjugated bridge to affect NLO property of D(-NH2)-π(DHTPs)-A(-NO2) system，COMPUTATIONAL AND THEORETICAL CHEMISTRY，2023年
6. Probing the Structure-Property Relationships of Na+center dot center dot center dot Cl-@C50N5H5 under the External Electric Field，INORGANIC CHEMISTRY，2022年
7. Intra-ring proton transfer effect on the Structure-NLO property relationships of phthalocyanine derivatives，J MOL LIQ，2022年
8. Synergize curvature and confinement effects for Fe-, Co-, Ni- N-2 sites on graphene nanobuds towards eNRR，MOLECULAR CATALYSIS，2022年
9. Pyramid-Like Au-2-CNC under an External Electric Field: Charge Transfer, UV-Vis Absorption Spectra, and Nonlinear Optical Property，JOURNAL OF PHYSICAL CHEMISTRY C，2022年
10. A novel acid-controlled second-order nonlinear optical switch based on dimethyldihydropyrene/cyclophanediene photoswitch，JOURNAL OF MATERIALS CHEMISTRY C，2022年
11. Computational evaluation of FeMo heteroatom coeffect induced high electroreduction activity of N2-to-NH3，APPLIED SURFACE SCIENCE，2022年
12. A Sulfur-Containing Capsule-Based Metal-Organic electrochemical sensor for Super-Sensitive capture and detection of multiple Heavy-Metal ions，CHEMICAL ENGINEERING JOURNAL，2022年
13. Dimerization of phenalenyls with embedded BNB/NBN bond，NEW JOURNAL OF CHEMISTRY，2022年
14. The second-order NLO and TADF properties of a donor-acceptor dihydropyrene-cyclophanediene system: the impact of molecular architecture and polarizable environment，JOURNAL OF MATERIALS CHEMISTRY C，2022年
15. First principle calculation of nonlinear optical response of (D/L)-Alanine in chiral carbon nanotube，CARBON，2021年
16. A Porous Metal-Organic Framework as an Electrochemical Sensing Platform for Highly Selective Adsorption and Detection of Bisphenols，INORGANIC CHEMISTRY，2021年
17. Switching of second-order nonlinear response effected by different acceptors: The impacts of environment and frequency dispersion，DYES AND PIGMENTS，2021年
18. Second-order nonlinear optical property of carbon–boron–nitride heterostructure: Vertical carbon-segment into the BN nanosheet，COMPUTATIONAL AND THEORETICAL CHEMISTRY，2021年
19. The second-order nonlinear optical property of hydrazones-based photochromic complexes: A DFT study，J MOL LIQ，2021年
20. Tuning the NLO response of bis-cyclometalated iridium(iii) complexes by modifying ligands: experimental and structural DFT analysis，NEW JOURNAL OF CHEMISTRY，2021年
21. Interior surface (confinement effect) and exterior (odd-even effect) of Fe-BNNTs (n, 0) for CO oxidation: A computational view，APPLIED SURFACE SCIENCE，2021年
22. Hydrogen Migration-Triggered Diradicaloid Singlet-Fission Switch，J AM CHEM SOC，2020年
23. Alkali-metal-controlled changes of stability and NLO properties in ideal unscrewing process of double helix，DYES PIGMENTS，2020年
24. External Electric Field-Phenyl interaction boosts hydrosilylation of substituted alkynes to a-vinylsilane，INT J QUANTUM CHEM，2020年
25. N-(O-methoxyphenyl)aza-15-crown-5-ether derivatives: Highly efficient and wide range nonlinear optical response based cation recognition，J MOL LIQ，2020年
26. Tuning Second-Order Nonlinear Optical Properties of Cross-Linked Carbon Nanotube via External Electric Field，J PHYS CHEM C，2020年
27. Metal-free catalysis for the Markovnikov hydrosilylation of styrene，NEW J CHEM，2019年
28. The directions of an external electric field control the catalysis of the hydroboration of C–O unsaturated compounds，RSC ADVANCES，2019年
29. Spectroscopic behavior, FMO, NLO and substitution effect of 2-(1H-Benzo [d]imidazole-2-ylthio)-N-o-substituted-acetamides: Experimental and theoretical approach，DYES PIGMENTS，2019年
30. Metal ions doped into merocyanine form of coumarin derivatives:nonlinear optical molecular switches，J MOL MODEL，2019年
31. A Greener Catalyst for Hydroboration of Imines-External Electric Field Modify the Reaction Mechanism，J COMPUT CHEM，2019年
32. Transition metals doped fullerenes: structures-NLO property relationships，MOL PHYS，2019年
33. Possible B-C bonding in the hydroboration of benzonitrile by an external electric field，PHYS CHEM CHEM PHYS，2019年
34. Constructing Stable Pi-Dimers: Two Parallel Pancake Pi-Pi Bonds，CHEM-EUR J，2018年
35. The regulation of hydroboration of olefins by oriented external electric field，NEW J CHEM，2018年
36. Structure-property relationships of coronene in external electric field，ORG ELECTRON，2018年
37. Stimulating intra- and intermolecular charge transfer and nonlinear optical response for biphenalenyl biradicaloid dimer under an external electric field，PHYS CHEM CHEM PHYS，2018年
38. Redox-switchable structures and NLO property: Li2 doped into the cavity of pyridine helix，ORG ELECTRON，2018年
39. NICS values scan in three-dimensional space of the hoop-shaped π-conjugated molecules [6]8cyclacene and [16]trannulene，NEW J CHEM，2018年
40. The attractive isomers of 1,1'-bis(verdazyl)ferrocene diradical on structure-property relationship，DYES PIGMENTS，2018年
41. Tuning the inter-molecular charge transfer, second-order nonlinear optical and absorption spectra properties of a Pi-dimer under an external electric field，PHYS CHEM CHEM PHYS，2017年
42. Intra- and Intermolecular Charge Transfer in a Novel Dimer: Cooperatively Enhancing Second-Order Optical Nonlinearity，J PHYS CHEM C，2017年
43. Boron/nitrogen substituted the staggered hetero-dimers: Fascinating intermolecular charge-transfer and large NLO responses，DYES PIGMENTS，2017年
44. Superatoms-Induced Effects of Phenalenyl Pi-Dimer on NICS and NLO Properties: Not Always Enhancement，J PHYS CHEM C，2017年
45. Aromaticity of graphene nanoflakes in a new way:fragment analysis by combination of the nucleus-independent chemical shifts and the anisotropy of current induced density，J MOL MODEL，2017年
46. First principles study for the key electronic, optical and nonlinear optical properties of novel donor-acceptor chalcones，J MOL GRAPH MODEL，2017年
47. Phenalenyl Pi-Dimer under the External Electric Field:Two-Electron/12-Center Bonding Breaking and Emergence of Electrostatic Interaction，J PHYS CHEM C，2017年
48. Two-electron/24-center (2e/24c) bonding in novel diradical pi-dimers，PHYS CHEM CHEM PHYS，2016年
49. The inner-induced effects of YCN in C76 on the structures and nonlinear optical properties，J MOL MODEL，2016年
50. The polar 2e/12c bond in phenalenyl-azaphenalenyl hetero-dimers: Stronger stacking interaction and fascinating interlayer charge transfer，J CHEM PHYS，2016年
51. The interaction between Boron-carbon-nitride heteronanotubes and lithium atoms: Role of composition proportion，CHEM PHYS LETT，2016年
52. Connecting effect on the first hyperpolarizability of armchair carbon-boron-nitride heteronanotubes: pattern versus proportion，PHYS CHEM CHEM PHYS，2016年
53. Latent harmony in dicarbon between VB and MO theories through orthogonal hybridization of 3ag and 2au，CHEMICAL SCIENCE，2016年
54. Ammonia borane in an external electric field: structure, charge transfer, and chemical bonding，RSC ADVANCES，2015年
55. "Dancing inside the ball": the structures and nonlinear optical properties of three Sc2S@C3v(8)-C82 isomers，J MOL MODEL，2015年
56. Charge transfer and first hyperpolarizability: cage-like radicals C59X and lithium encapsulated Li@C59X (X=B, N)，J MOL MODEL，2015年
57. Superalkali Atoms Bonding to the Phenalenyl Radical: Structures, Intermolecular Interaction and Nonlinear Optical Properties，J MOL MODEL，2015年
58. The effect of ring sizes and alkali metal cations on interaction energy, charge transfer and nonlinear optical properties of crown ether derivatives，RSC ADVANCES，2015年
59. One lithium atom binding with P-nitroaniline: lithium salts or lithium electrides?，J MOL MODEL，2015年
60. Role of Excess Electrons in Nonlinear Optical Response，JOURNAL OF PHYSICAL CHEMISTRY LETTERS，2015年
61. Modulating the Charge Transfer of D-S-A Molecules: Structures and NLO Properties，J PHYS CHEM A，2015年
62. A theoretical investigation of one-dimensional lithium-bonded chain: enhanced first hyperpolarizability and little red-shift，J MOL MODEL，2014年
63. The effect of the different spin multiplicity on nonlinear optical properties of lithium decahydroborate dimmers，J MOL MODEL，2014年
64. A designed bithiopheneimide-based conjugated polymer for organic photovoltaic with ultrafast charge transfer at donor/PC71BM interface: theoretical study and characterization，PHYS CHEM CHEM PHYS，2014年
65. The Effect of Boron Nitride Nanotubes Size on the HArF Interaction by NBO and AIM Analysis，INT J QUANTUM CHEM，2014年
66. Hydrogen-bond-directed-linking solving transparence-efﬁciency tradeoff in nonlinear optical molecule，J MOL GRAPH MODEL，2014年
67. Probe the accumulation modes of the Au–C22H14 dimer on the structure and NLO properties，MOL PHYS，2014年
68. Multilithiation Effect on the First Hyperpolarizability of Carbon–Boron–Nitride Heteronanotubes: Activating Segment versus Connecting Pattern，J PHYS CHEM C，2014年
69. Probing the Relationship between Spin Contamination and First Hyperpolarizability: Open-Shell Mobius Anion，INT J QUANTUM CHEM，2014年
70. Li doped effect of through novel noncovalent charge transfer on nonlinear optical properties，DYES PIGMENTS，2014年
71. Superatoms (Li3O and BeF3) induce phenalenyl radical π-dimer: fascinating interlayer charge-transfer and large NLO responses，DALTON T，2014年
72. Modulation on charge recombination and light harvesting toward high-performance benzothiadiazole-based sensitizers in dye-sensitized solar cells: A theoretical investigation，J POWER SOURCES，2014年
73. N-Methylbenzoaza-18-crown-6-ether derivatives as efficient alkali metal cations sensors: the dipole moment and first hyperpolarizability，RSC ADVANCES，2014年
74. The V-shaped polar molecules encapsulated into Cs (10528)-C72: stability and nonlinear optical response，DALTON T，2014年
75. Helical Carbon Segment in Carbon–Boron–Nitride Heteronanotubes: Structure and Nonlinear Optical Properties，CHEMPLUSCHEM，2014年
76. Suitable helical cavity, suitable alkali metal, larger first hyperpolarizability，CHEM PHYS LETT，2014年
77. Influence of Spiral Framework on Nonlinear Optical Materials，CHEMPHYSCHEM，2014年
78. Structures and electro-optical properties of Mobius [n]Cyclacenes[13–18]: a theoretical study，J MOL MODEL，2014年
79. Alkali Metals-Substituted Adamantanes Lead to Visible Light Absorption: Large First Hyperpolarizability，J PHYS CHEM C，2014年
80. Isomeric thiophene-fused benzocarborane molecules-different lithium doping effect on the nonlinear optical property，DALTON T，2014年
81. Theoretical investigation on the 2e/12c bond and second hyperpolarizability of azaphenalenyl radical dimers: Strength and effect of dimerization，J CHEM PHYS，2013年
82. The Symmetric and Asymmetric Thiophene-Fused Benzocarborane: Structures and First Hyperpolarizabilities，J MOL MODEL，2013年
83. Quantum chemical design of nonlinear optical materials by sp2-hybridized carbon nanomaterials: issues and opportunities，JOURNAL OF MATERIALS CHEMISTRY C，2013年
84. The encapsulated lithium effect of Li@C60Cl8 remarkably enhances the static first hyperpolarizability，RSC ADVANCES，2013年
85. BN Segment Doped Effect on the First Hyperpolarizibility of Heteronanotubes: Focused on an Effective Connecting Pattern，J PHYS CHEM C，2013年
86. After the electronic field: Structure, bonding, and the first hyperpolarizability of HArF，J COMPUT CHEM，2013年
87. An accurate and efficient method to predict the electronic excitation energies of BODIPY fluorescent dyes，J COMPUT CHEM，2013年
88. Reply to “Comment on ‘How the Number and Location of Lithium Atoms Affect the First Hyperpolarizability of Graphene’”，J PHYS CHEM C，2013年
89. Effect of dehydrogenation/hydrogenation on the linear and nonlinear optical properties of Li@porphyrins，J MOL MODEL，2012年
90. Endohedral metallofullerene Sc3NC@C84: a theoretical prediction，PHYS CHEM CHEM PHYS，2012年
91. The Excess Electron in a Boron Nitride Nanotube: Pyramidal NBO Charge Distribution and Remarkable First Hyperpolarizability，CHEM-EUR J，2012年
92. Probing the linear and nonlinear optical properties of nitrogen-substituted carbon nanotube，J MOL MODEL，2012年
93. Assembly of Sandwich-Like Supermolecules Li Salts CpLi-C60: Structures, Stabilities, and Nonlinear Optical Properties，ORGANOMETALLICS，2012年
94. Spiral Intramolecular Charge Transfer and Large First Hyperpolarizability in Mobius Cyclacenes: New Insight into the Localized π Electrons，CHEMPHYSCHEM，2012年
95. Probing the Chemical Functionalization of Single-Walled Carbon Nanotubes with Multiple Carbon Ad-Dimer Defects，CHEMPHYSCHEM，2012年
96. Quantum chemical investigation on the structure and first hyperpolarizability for Nsubstituted [n]cyclacene，J PHYS ORG CHEM，2012年
97. The stability and nonlinear optical properties: Encapsulation of an excess electron compound LiCN/Li within boron nitride nanotubes，J MATER CHEM，2012年
98. An Effective Method for Accurate Prediction of the First Hyperpolarizability of Alkalides，J COMPUT CHEM，2012年
99. Ab initio and density functional study on fullerene C44 and its derivatives，Computational and Theoretical Chemistry，2011年
100. The Complexant Shape Effect on First (Hyper)polarizability of Alkalides Li+(NH2CH3)4M- (M = Li, Na and K)，INT J QUANTUM CHEM，2011年
101. Boron/Nitrogen Substitution of the Central Carbon Atoms of the Biphenalenyl Diradical π Dimer: A Novel 2e–12c Bond and Large NLO Responses，CHEM-EUR J，2011年
102. Novel Trumpet-Shaped Conjugation Bridge (Carbon Nanocone) for Nonlinear Optical Materials，J PHYS CHEM C，2011年
103. Widening or Lengthening? Enhancing the First Hyperpolarizability of Tubiform Multilithium Salts，J PHYS CHEM C，2011年
104. Comparative study of the electrostatic potential of perfect and defective single-walled carbon nanotubes，Computational and Theoretical Chemistry，2011年
105. Quantum Chemical Research on Structures, Linear and Nonlinear Optical Properties of the Li@n-Acenes Salt (n=1,2,3,and 4)，J PHYS CHEM A，2011年
106. Three-propeller-blade-shaped electride: remarkable alkali-metal-doped effect on the first hyperpolarizability，THEOR CHEM ACC，2011年
107. Capturing a Synergistic Effect of a Conical Push and an Inward Pull in Fluoro Derivatives of Li@B10H14 Basket: Toward a Higher Vertical Ionization Potential and Nonlinear optical Response，J PHYS CHEM A，2011年
108. How the Number and Location of Lithium Atoms Affect the First Hyperpolarizability of Graphene，J PHYS CHEM C，2010年
109. Quantum Chemical Study of Benzimidazole Derivatives to Tune the Second-order Nonlinear Optical Molecular Switching by Proton Abstraction，PHYS CHEM CHEM PHYS，2010年
110. Knot-Isomers of Mobius Cyclacene: How Does the Number of Knots Influence the Structure and First Hyperpolarizability?，J PHYS CHEM C，2009年
111. Quantum Mechanical Design and Structure of the Li@B10H14 Basket with a Remarkably Enhanced Electro-Optical Response，J AM CHEM SOC，2009年
112. The Nitrogen Edge-doped effect on the Static First Hyperpolarizability of the Supershort single-walled Carbon Nanotube，J COMPUT CHEM，2009年
113. 配体数与电子化物的一阶超极化率的碱金属原子序数依赖性，CHEM J CHINESE U，2009年
114. Lithiation and Li-doped Effects of [5]cyclacene on the Static First Hyperpolarizability，J PHYS CHEM C，2009年
115. What is the Shape Effect on the (Hyper)polarizabilities? A Comparison Study on the Möbius, Normal Cyclacene and Linear Nitrogen-Substituted Strip Polyacenes，CHEM PHYS LETT，2008年
116. Structures and Large NLO Responses of New Electrides: Li-Doped Fluorocarbon Chain，J AM CHEM SOC，2007年
专利：
磁性荧光二氧化硅用于潜指纹显现的方法 2011-12-21