On exciton-vibration and exciton-photon interactions in organic semiconductors / / Antonios M. Alvertis

• Autore: Alvertis Antonios M.
• Pubblicazione: Cham, Switzerland : , : Springer, , [2021]; ©2021
• Descrizione fisica: 1 online resource (213 pages)
• Disciplina: 621.38152
• Soggetto topico: Organic semiconductors; Exciton theory
• Nota di contenuto: Intro -- Supervisor's Foreword -- References -- Abstract -- Acknowledgements -- Contents -- 1 Introduction -- References -- Part I Background -- 2 Organic Semiconductors and Their Properties -- 2.1 The Chemistry of Carbon and -conjugation -- 2.2 The Exciton State -- 2.2.1 Formation of Bound Electron-Hole Pairs -- 2.2.2 Exciton Spin -- 2.2.3 The Role of Spin for Exciton-Photon Interactions -- 2.2.4 Singlet Exciton Fission -- 2.3 Vibrational Motion in Organic Semiconductors -- 2.4 Differences and Similarities to Inorganic Semiconductors -- References -- 3 The Time-Dependent Quantum Mechanical Problem -- 3.1 Density Matrix Formalism -- 3.2 The System and Its Environment -- 3.3 Approximate Quantum Master Equations -- 3.4 Discussion of the Approximations -- References -- 4 Modelling of the Electronic and Vibrational Structure -- 4.1 The Many-Body Hamiltonian and the Born-Oppenheimer Approximation -- 4.2 Ground State Properties: Density Functional Theory (DFT) -- 4.2.1 Fundamentals -- 4.2.2 Approximations Within DFT -- 4.2.3 Applications -- 4.3 Excited State Properties: Model Hamiltonians and the PPP Method -- 4.4 Excited State Properties: Many-Body Perturbation Theory -- 4.4.1 Green's Functions and the Dyson Equation -- 4.4.2 Quasiparticles: The GW Approximation -- 4.4.3 Excitons: The Bethe-Salpeter Equation -- References -- Part II Results -- 5 First Principles Modelling of Exciton-Photon Interactions -- 5.1 Introduction -- 5.2 Theoretical Background -- 5.3 Application to Disorder-Free PDA -- 5.4 Static Disorder: The Effect of Finite Chain Length -- 5.5 Dynamic Disorder: The Effect of Vibrations -- 5.6 Conclusions -- References -- 6 Impact of Exciton Delocalisation on Exciton-Vibration Interactions -- 6.1 Introduction -- 6.2 Methodology -- 6.3 Exciton-Phonon Coupling -- 6.4 Exciton Temperature Dependence. ; 6.5 The Effect of Nuclear Quantum Fluctuations on Exciton Energies -- 6.6 Exciton Pressure Dependence -- 6.7 Conclusions -- References -- 7 Interplay of Vibrational Relaxation and Charge Transfer -- 7.1 Introduction -- 7.2 Methodology -- 7.2.1 Tensor Networks -- 7.2.2 Studied System -- 7.3 Results -- 7.3.1 Band-Edge Excitation -- 7.3.2 Incoherent Excitation -- 7.3.3 Coherent Excitation -- 7.4 Conclusions -- References -- 8 Molecular Movie of Ultrafast Singlet Exciton Fission -- 8.1 Introduction -- 8.2 Methodology -- 8.3 Results -- 8.3.1 Vibrationally Coherent Singlet Fission -- 8.3.2 Identification of Transferred Coherence -- 8.3.3 Simulation of Full Quantum Dynamics -- 8.3.4 Benchmarking Against Vibronic Spectroscopy -- 8.3.5 Character of Coupling and Tuning Modes -- 8.3.6 Coordinated Interplay of Coupling and Tuning Modes -- 8.4 Conclusions -- References -- 9 Controlling the Coherent Versus Incoherent Character of Singlet Fission -- 9.1 Introduction -- 9.2 Molecular Structure and Coupling -- 9.3 Exciton States and State Mixing -- 9.4 Multiple Emissive Species -- 9.5 CT-Mediated Singlet Fission -- 9.6 Singlet Fission Yield Variation -- 9.7 Modelling of Vibrational and Solvent Effects -- 9.8 Coherent and Incoherent Singlet Fission -- 9.9 Conclusions -- References -- 10 Conclusions and Outlook -- References.
• Titolo autorizzato: On Exciton-Vibration and Exciton-Photon Interactions in Organic Semiconductors
• ISBN: 3-030-85454-X
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Lingua di pubblicazione: Inglese
• Record Nr.: 9910506403403321
• Lo trovi qui: Univ. Federico II
• Serie: Springer theses.