Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 43 for “"Molecular Materials"”.
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Characterisation of molecular materials for electronic devices
… hopping models are not applicable to these materials; and a trap-controlled hopping mechanism is suggested as appropriate. <br/><br/>An apparent density of states for the oligomers has been obtained using the transient photocurrent (TPC) decays and a multiple trapping analysis. …
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Triphenylene as a Scaffold for New Molecular Materials
… triphenylene as the scaffold for building new molecular materials. This has been approached in three different ways; firstly a twin linked by pyrrole units, secondly by twinning with triazoles, and finally via the formylation of triphenylene. A tetra-hexyloxysubstituted dipyrrolyltriphenylene …
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Towards improved simulations of self-organising molecular materials
… theoretical models or predict new be- haviour of molecular materials. Long time and large length scales, in combination with problems of phase space sampling, present a grand challenge for simulations of self-organising molecular materials. In the work presented in this thesis, the aim has been to …
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Light conversion processes in lanthanide-based molecular materials
… the investigation and processing of luminescent molecular complexes of lanthanide ions (Ln), for the development of efficient near infrared (NIR)-emitting materials. In the light of a detailed understanding of the chemical/photophysical properties of the special class of lanthanide quinolinolato …
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Surface Modification and Controlled Assembly of Molecular Materials
Single crystal molecular organization was investigated using coordination network crystals. Crystals that had molecules arranged as chains, such as catena-poly[dicyanobenzene-silver(I)]-triflate, were exposed to inhibitors specifically designed to bind at the growing surface. It was found that …
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Chemically Modified Titanium-Oxo Clusters as Molecular Materials
Inspired by the widespread applications of TiO2, titanium-oxo clusters (TOCs) of the type [TixOy(OR)z] (OR = alkoxide) have attracted considerable attentions recently. In this thesis, new TOCs involving both heterogeneous metal doping and functional ligand modification, namely …
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Photochromic Molecular Materials for the Controlled Organization of Nanoparticles
The displacement of polystyrene nanoparticles promoted by bulk azo mass transfer using interferential light illumination will be discussed. For this a variety of different push pull small azo molecules were synthesis and characterized, changing the polarity, hydrophobicity and bulky groups around …
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Synthesis, physical properties and processing of multifunctional molecular materials
New multifunctional materials (MMMs) where conductivity and magnetism coexist or, in some cases, interact, have been prepared and fully characterized as quality crystals or thin films. [(BDH-TTP)6] [Fe(croc)3] ·CH2Cl2 (1), where paramagnetism is due to isolated Fe(III) metal ions with S = 5/2 …
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Anilate-based Functional Molecular Materials with Conducting and Magnetic Properties
… of novel anilate-based functional molecular materials showing magnetic and conducting properties. The family of anilate ligands comprises several derivatives obtained by introducing various substituents (H, F, Cl, Br, I, CN, Me, NO2, etc.) at the 3 and 6 positions of a common …
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Investigation of Electronic Molecular Materials with Magneto-Optical and Magnetic Properties
… small-molecule and polymeric magneto-optical materials. Part 2 discusses synthetic advances for the development of redox-active pyrrole-fused small molecules and polymers. Part 3 details the synthetic work and investigation of selectively deuterated and perdeuterated BDPA radicals as …
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Conductive properties and morphology of conjugated molecular materials studied by local probe techniques
Die vorgelegte Arbeit befasst sich mit der Untersuchung von Zusammenhängen zwischen der Struktur dünner organischer Schichten und stellt einen Bezug zur Leitfähigkeit der Schichten her. Sie liefert einen Beitrag zum vertieften Verständnis der Transporteigenschaf-ten organischer Halbleiter und soll …
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Angstrom-scale imaging of 2D molecular materials via scanning transmission electron microscopy and ptychography
Submission published under a 24 month embargo labeled 'U of I Access', the embargo will last until 2026-12-01
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Advanced computational approaches to study local and collective defects behaviors in hard, soft and molecular materials
L'abstract è presente nell'allegato / the abstract is in the attachment
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Redox-Active Trivalent Metallosurfactants With Low Global Symmetry For Molecule-Based Electronics: Spectroscopic, Electrochemical, And Amphiphilic Properties Of New Molecular Materials For Current-Voltage Measurements In M|lb-Monolayer|m Devices
… components, the investigation of nanoscale molecular electronic devices is of great importance. This dissertation research is focused on the development of redox-active asymmetric metallosurfactants as potential candidates for molecule-based electronics. Asymmetric donor-acceptor type [D-A] …
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An investigation into the synthesis, structural characterisation, thermal and polymorphic behaviour of organic crystalline materials
… synthesis and application of solid state organic materials have a big impact upon society, e.g. pharmaceuticals. Traditionally, the process of selecting active pharmaceutical ingredients (APIs) was limited to free drug or accepted salt formulations. The cocrystallisation of APIs with a former …
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Molecular Self-assembly of Functionalized Pentacenes and Fullerenes on Metal Surfaces by STM and DFT Investigations
… composed essentially of carbon-based organic molecular materials, have attracted considerable scientific and industrial attentions because of their economic and environmental benefits. It is advantageous to have the comprehension of the molecular structures and interfacial morphologies for …
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Investigating the Properties and Lattice Vibrations of Ordered and Disordered Crystalline Materials
Crystalline materials are known for their well-defined periodic structure and their properties have been widely applied in numerous fields. An ideal single crystal will exhibit a perfect ordered structure. However, in most crystalline materials defects and dislocations are commonly present and the …
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Nonlinear machine learning of macromolecular folding and self-assembly
… In this thesis, I report several applications of molecular dynamics simulation and machine learning in the study of the macromolecular folding and assembly. In the first aspect, I employ molecular simulation and non-linear manifold learning to explore the dynamics and configuration of linear and …
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Fused Arenes-Based Molecular and Polymeric Materials for Organic Field Effect Transistors
… Our goal is to design and synthesize conjugated molecular materials, which are highly functionalized through structural modifications in order to enhance their electronic, photonic, and morphological properties. The main desire is to synthesize novel organic fused-arenes having efficient charge …
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N-Heterocycles for Materials and Catalysis
Contains fulltext : 151783.pdf (Publisher’s version ) (Open Access)
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