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中文摘要：
本项目对石墨烯/陶瓷纳米纤维复合材料的构效关系进行了理论探讨。采用石墨烯掺杂电纺陶瓷纤维，获得石墨烯/陶瓷复合材料，围绕提高陶瓷纤维光电转换性能和解决石墨烯不可逆团聚难题，本项目用第一性原理考察石墨烯掺杂对金属原子在导带区的相互关联作用，揭示复合纤维各组分间的协同机理，从而建立该类材料的构效关系。同时，本项目提出一种新颖的、局域表面等离子体共振（LSPR）增强光捕获染料敏化太阳能电池（DSSC）光阳极结构，由贵金属修饰石墨烯/陶瓷复合纤维组成。首次选用具有规则形态的贵金属颗粒取代目前研究的无规则形貌粒子，研究LSPR特性增强光电流。借鉴经典理论和量子理论结合的半经验方法，探索金属、石墨烯、陶瓷三相系统复杂的耦合机制和电子传输机理。研究成果一方面为认识复合陶瓷材料的构效关系提供实验和理论依据，同时为高性能DSSC的发展提供理论与应用基础。
英文摘要：
graphene；ceramic nanofibers；LSPR；photoelectrical property；
结论摘要：
本项目对贵金属修饰的石墨烯/陶瓷纳米纤维复合材料的协同效应进行了系列研究。精心设计了一种缆状结构的还原氧化石墨烯（RGO）包覆的TiO2纳米纤维，并实现RGO与TiO2的界面耦合，在植入于光阳极材料中后发挥出超快电子传输通道的作用，显著增强光电流。以此同时，采用水热法制备了含氮石墨烯量子点（N-GQDs），其中N杂原子的浓度和构型可控，与锐钛矿型TiO2纳米线拥有良好的能级匹配，在界面处具有超快的电子注入速度以及高效的电子传输效率。在此基础上，进一步研究了不同氮含量，不同的TiO2晶型结构以及不同的入射光波长对该体系的光电转换作用机理和构效关系。此外，利用第一性原理，对石墨烯量子点的结构与能带关系进行系统理论计算研究。在对贵金属局域表面等离子共振特性与电极光电性能的关系研究方面，我们开展了系列工作。设计了一种新颖的Au纳米棒修饰的红毛丹状TiO2微球结构。Au纳米棒在特定波长的可见波照射下产生热电子，而红毛丹状的TiO2微米结构大大增加了光子被吸收转化的几率，该结构优异的光-电转换和光-热转换使其具有显著增强的光电流响应并在罗丹明B的光降解作用中起到了良好的催化作用。同时，以可控的方式用可见光照射氯铂酸，PtCl62-被光还原并原位生长在Fe2O3/石墨烯纳米片表面，在界面微区形成贵金属/Fe2O3/石墨烯强相互作用，有望成为新型的高效光电转换材料。上述每种新型结构都被运用于光阳极材料中，并对其在可见光下的光电流响应进行系统的研究，获得不同陶瓷结构/石墨烯结构以及贵金属纳米晶修饰前后光电性能的协同效应，为高性能染料敏化太阳能电池的发展提供了重要依据。
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期刊论文
Dramatically Enhanced Solid-State Electrochemiluminescence of CdTe Quantum Dots Composed with TiO2 N
Quasi-static particle formation of poly(acrylamide/methacrylic acid) in ethanol by using V-65 as ini
Synthesis and characterization of Ce0.8Sm0.2O1.9 nanopowders using an acrylamide polymerization proc
Preparation of nanocrystalline TiO(2) electrode by layer-by-layer screen printing and its applicatio
Improvement of dye-sensitized solar cell performance through electrodepositing a close-packed TiO2 f
An experimental and computational study of intramolecular charge transfer: Diarylamino derivatives o
Hollow hemispherical titanium dioxide aggregates fabricated by coaxial electrospray for dye-sensitiz
Growth of single-crystalline rutile TiO2 nanorods on fluorine-doped tin oxide glass for organic-inor
Fabrication of TiO2 Aggregates by Electrospraying and Their Application in Dye-Sensitized Solar Cell
Enhanced power conversion efficiency in dye-sensitized solar cells with TiO2 aggregates/nanocrystall
Synthesis, Optical and Electrochemical Properties of Novel 3,4-Dialkyloxythiophene-Based D-A-D Organ
Z-scan measurements of the third-order nonlinear optical properties in A pi D pi A carbozole derivat
A new turn-off fluorescent chemosensor for iron (III) based on new diphenylfluorenes with phosphonic
Synthesis, characterization, and optical properties of a novel alternating 3-dodecyloxythiophene-co-
A hyperbranched copolymer of poly(dialkoxy-p-phenylenevinylene) and trivinylenephenylene units: Synt
Study on Zn(II) tetracarboxy phthalocyanine doped TiO2 electrode using electrochemical impedance spe
Preparation and photoluminescence property of a loose powder, Ca3Al2O6 : Eu3+ by calcination of a la
Synthesis and Z-scan measurements of third-order optical nonlinearity in push-pull molecules with di
Comparative study of photoelectric, properties of a copolymer and the corresponding homopolymers bas
Synthesis and characterization of novel two-component conjugated polythiophenes with 3-octyl and 3-i
Synthesis, Characterization, Optical and Electrochemistry Properties of a Novel p-/n-Alternating Con
Simple Synthesis and Photoelectrochemical Characterizations ofPolythiophene/Pd/TiO2 Composite Micros
Fluorescent sensor of fluorene derivatives having phosphonic acid as a fluorogenic ionophore: synthe
A bipolar homoleptic iridium dendrimer composed of diphenylphosphoryl and diphenylamine dendrons for
Spirobifluorene/sulfone hybrid: Highly efficient solution-processable material for UV-violet electro
Biotemplated synthesis of LiFePO4/C matrixes for the conductive agent-free cathode of lithium ion ba
Self-host homoleptic green iridium dendrimers based on diphenylamine dendrons for highly efficient s
Alcohol-Soluble Electron-Transport Small Molecule for Fully Solution-Processed Multilayer White Elec
Binding mechanisms of methacrylic acid and methyl methacrylate on Si(111)-7x7 - Effect of substituti
The self-consistent theoretical study of the effect of surface plasmon and polariton on electronic t
Low-temperature hydrothermal synthesis of flower-like ZnO microstructure and nanorod array on nanopo
Ionic liquid electrolytes based on 1-vinyl-3-alkylimidazolium iodides for dye-sensitized solar cells
The effect of the interlayer anions on the electrochemical performance of layered double hydroxide e
Synthesis and characterization of new 3-alkylthiophene copolymer that exhibit orange-red photolumine
A Sinter-Resistant Catalytic System Based on Platinum Nanoparticles Supported on TiO(2) Nanofibers a
Electrochromic response and electrochemiluminescence of CdS nanocrystals thin film in aqueous soluti
Dye-sensitized solar cells based on oriented ZnO nanowire-covered TiO2 nanoparticle composite film e
Structural transformation and its effects on the electrochemical performances of a layered double hy
Density functional studies of the substituent effect on absorption and emission properties of 1, 8-n
Enhanced electrochemiluminescence of peroxydisulfate by electrodeposited Au nanoparticles and its bi
Preparation and characterization of ortho-biguanidinyl benzoyl chitosan hydrochloride and its antiba
Effect of Annealing Temperature on the Performances and Electrochemical Properties of TiO2 Dye-Sensi
Synthesis, characterization of a novel light stable cross-linker - Isophorone diisocyanate terpolyme
Novel tri-carbazole modified fluorene host material for highly efficient solution-processed blue and
Photoelectrochemical properties of MWCNT-TiO2 hybrid materials as a counter electrode for dye-sensit
Facile synthesis of a 3D-porous LiNbO3 nanocomposite as a novel electrode material for lithium ion b
A novel, bipolar host based on triazine for efficient solution-processed single-layer green phosphor
Characterization and photoluminescent properties of sol-gel-derived Ca2(1-x)La7.6+x(SiO4)(6)O-2:Eu-0
TiO2 nanocrystals electrochemiluminescence quenching by biological enlarged nanogold particles and i
Improving the high-temperature performances of a layered double hydroxide, [Ni4Al(OH)(10)]NO3, throu
A high tripletenergy small molecule based thermally cross-linkable hole-transporting materialfor sol
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