Sökning: "organic molecular materials"

Visar resultat 1 - 5 av 229 avhandlingar innehållade orden organic molecular materials.

1. 1. Functional and Modular As=C and P=C Group Motifs

   Författare :Daniel Morales Salazar; Andreas Orthaber; Jose Goicoechea; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; materials; physical chemistry; arsaalkenes; phosphaalkenes; DBU; fluorene; photochemistry; arsenic; phosphorus; carbon; hydrogen; sulfur; gold; copper; organic materials; organic electronics; molecular electronics; polymers; transition metal complexes; molecular materials; small molecule; hydrogen bonding; electrochemistry; cyclic voltammetry; chronoamperometry; electropolymerization; artificial intelligence; potentiodynamic; modularity; functionality; XPS; DFT; π-conjugation effects; 2D-NMR; disilenes; siliconoids; group motifs; functional group; emergence; reactivity; reactive systems; organometallic complexes; π-delocalization; low-coordinate; main group chemistry; heavy p-block elements; pnictogens; copper I complex; gold I complex; photosensitizer; XRD; spectroelectrochemistry; electrochromism; smart materials; synthesis; phosphaalkene ligands; imine ligands; hysteresis-like criteria; representative settings; optimal criteria; transient covalence; interactive image; conformer; isomer; ligand scrambling; nanomaterials; stimuli-responsive; optical properties; ligand design; molecular design; X-ray crystallography; emission; self-assembly; As=C; Si=Si; P=C; multiple bond; equilibrium; heteroalkenes; alkenes; reversibility; Raman; ATR-FTIR; ERDA; Kemi; Chemistry;

   Sammanfattning : This work focuses on the design, synthesis, characterization, and application projections of low-coordinated heavy pnictogen-containing (described by the generic letter E, hence E=C) phosphaalkenes (P=C) and arsaalkenes (As=C), with emphasis on the E=C group motifs. The work aims to understand their functional and modular character, reactivity, and potential applications by stabilizing, isolating, and characterizing these species in low-coordination environments. LÄS MER

3. 2. Organic Electrode Battery Materials : A Journey from Quantum Mechanics to Artificial Intelligence

   Författare :Rodrigo P. Carvalho; Moyses Araujo; Daniel Brandell; Susanne Mirbt; Wolfgang Wenzel; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Batteries; Artificial Intelligence; Organic electrodes; High-voltage cathode materials; Machine learning; Materials discovery; High throughput screening; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

   Sammanfattning : Batteries have become an irreplaceable technology in human life as society becomes progressively more dependent on electricity. The demand for novel battery technologies has increased fast, especially with the popularisation of different portable devices. LÄS MER

4. 3. The Electronic Structure of Organic Molecular Materials : Theoretical and Spectroscopic Investigations

   Författare :Iulia Emilia Brumboiu; Barbara Brena; Biplab Sanyal; Olle Eriksson; Jakob Schiøtz; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; materials theory; electronic structure; photoelectron spectroscopy; near-edge X-ray absorption fine structure; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik; Materialvetenskap; Materials Science;

   Sammanfattning : In the present thesis the electronic properties of two organic molecules were studied by means of density functional theory (DFT) in connection to their possible applications in organic photovoltaics and molecular spintronics respectively.The first analysed system is the C60 derivative PCBM extensively used in polymer solar cells for the charge separation process. LÄS MER

5. 4. Organic Azides : Functional Molecules and Materials

   Författare :Giampiero Proietti; Peter Dinér; Per I. Arvidsson; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; perfluorinated Aromatic Azide; Photoactivatable; fluorophores; aggregation-induced emission; sulfonimidamides; sulfoximes; chiral auxilary; organogel; azides reduction; Ni-B; Kemi; Chemistry;

   Sammanfattning : The work presented in this thesis stems from the chemistry of the azido group, and more specifically from the unique reactivity of perfluorinated aromatic azides and how to use this reactivity to access new types of molecules to enable new applications in asymmetric synthesis and materials.In the first section of this thesis, a photoactivatable fluorescence probe is presented, where the non-luminescent azide was activated via a UV-light-promoted intramolecular N–H insertion reaction forming a fluorescence emitter. LÄS MER

7. 5. Molecular Doping of Polar Conjugated Polymers

   Författare :David Kiefer; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; thermal stability; dopant dianion; air stability; compatibility; polar conjugated polymer; double doping; molecular doping;

   Sammanfattning : Organic semiconductors may enable a wide range of flexible electronics, such as flexible displays or solar cells. Conjugated polymers constitute one of the most widely studied class of organic semiconductors. LÄS MER