Applications, molecular electronics functional materials

All the hexakis(ligand) Fe(II) materials derived from isoxazole, 1-alkyl-tetrazole and 4-R-1,2,4-triazole exhibit very favourable Fe(II) spin crossover response functions, which make them the likely compounds of choice for various applications in molecular electronics. The interconversion from low-spin... 

NPs provide highly efficient catalysts and sensors due to their unique chemical and physical properties. NPs can be used as exo-active surfaces where a multitude of molecular receptors can bind analytes and generate a signal. Alternatively, NPs can be used as core-based materials in which biocatalytic processes can activate their core or they provide a biologically inert electrochemical label. As catalysts, NPs utilize their large surface area to volume ratio and enhance either electrochemical reactions or electron transfer at an electrode. The use of NPs in catalysts and sensors will continue as these functional materials serve as active units within these applications. 

Density matrices and density functionals have important roles in both the interpretation and the calculation of atomic and molecular structures and properties. The fundamental importance of electronic correlation in many-body systems makes this topic a central area ofresearch in quantum chemistry and molecular physics. Relativistic effects are being increasingly recognized as an essential ingredient ofstudies on many-body systems, not only from a formal viewpoint but also for practical applications to molecules and materials involving heavy atoms. Valence theory deserves special attention since it... 

Thus, the ideas behind the bottom-up approach are as simple as powerful. The general aim lies in the design of novel materials employable for molecular-scale electronics, such as molecular transistors, molecular photovoltaic applications, molecular display technology, etc. Hereby, the functions are carefully adjusted by synthetic tools to build up a certain chemical structure. In this context, we need to address the key steps/challenges in such a work-flow. With this in hands the impetus of this thesis should be illustrated. 

Single-walled carbon nanotubes, SWNT, having a diameter of 0.7 nm were electro-chemically derivatized on the sides and ends with diazonium tetrafluoroborate derivatives. In this process the estimated degree of functionality was about 1 out of every 20 to 30 carbons in the nanotube. These chemically modified nanotubes have applications in polymer composite materials, molecular electronic applications, and sensor devices. 

Verani and coworkers widely investigated stimuli-responsive soft materials with interesting optical and redox behaviors. Such materials are able to self-assembly in functional ordered structures, as Langmuir-Blodgett films and liquid crystals, and possess potential applications in molecular electronics and magnetic films as well. These compounds are mainly based on Co(II) (94), Co(III) (95), Cu(II) (96), Fe(II)/Fe(III) (97), and Ni (II) and Zn(II) (98). A recent overview dedicated to colloidal systems, and their application in different fields has recently appeared in the literature (99). 

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