Electronic Structure and Geometry Relaxation at Excited State
|
|
- Maud Andrews
- 5 years ago
- Views:
Transcription
1 Electronic Structure and Geometry Relaxation at Excited State Speaker: Chun I Wang ( 王俊壹 )
2 Structure-Performance Relationship Processing schemes Solvent quality Thermal annealing Blend composition (ratio) Molecular features Regioregularity Defects Molecular architecture BHJ solar cells Polymer LED Thin-film transistors Continuum Performance of conjugated polymer-based devices Mesoscale Phase & film morphology Molecular scale Intra-molecular properties Interfacial arrangement Quantum length scale Electronic properties Absorption/emission Quantum efficiency Power conversion efficiency Open-circuit voltages (V oc ) Short-circuit current (I sc ) Phase separation Crystal/amorphous phases Aggregates Structures in solutions Chain conformation Pair alignment Inter-chain interaction Electronic excited state Exciton/charge transfer
3 Electronic Structure Configuration interaction approach Kasha's rule Geometry Relaxation at Excited State Change in bond length Torsion of backbone Exciton dynamics
4 Molecular Orbital (MO) & Electronic Configuration Frontier MOs of planar 10-mer PPV E LUMO+3 LUMO+2 LUMO+1 LUMO S 0 HOMO HOMO-1 HOMO-2 HOMO-3 I. Frank et al., J. Phys. Chem. B, 2007, 111,
5 Molecular Orbital (MO) & Electronic Configuration Octatetraene (8 π electrons) E LUMO+3 LUMO+2 LUMO+1 LUMO HOMO HOMO-1 HOMO-2 HOMO-3 Electronic configuration S 0 S 1 E 1 S 2 or E 2 E 2 = E 3 E 3
6 Effect of Electron Correlation E LUMO+3 S 1 S 2 HOMO LUMO HOMO-1 LUMO HOMO LUMO+1 Configuration interaction (CI) A linear combination of electronic configurations LUMO+2 LUMO+1 First excited state (S 1 ): LUMO HOMO HOMO-1 HOMO-2 E 1 + or E 2 E 3 E S1 = E 1 = E LUMO E HOMO Second excited state (S 2 ): E S2 = a E 2 + b E 3 = a E LUMO E HOMO 1 + b(e LUMO+1 E HOMO ) HOMO-3 where a and b are weighting coefficients J-L. Bredas et al., Acc. Chem. Res., 1999, 32, 267.
7 Configuration Interaction Approach E S 1 S 2 Configuration interaction (CI) LUMO+3 HOMO LUMO HOMO-1 LUMO HOMO LUMO+1 Case 1: E S1 < E S2 LUMO+2 LUMO+1 i.g., PPV, MEH-PPV, emitting conjugated polymers LUMO E 1 + E 3 First excited state (S 1 ): E S1 = E 1 = E LUMO E HOMO HOMO HOMO-1 E 2 Second excited state (S 2 ): HOMO-2 E S2 = a E 2 + b E 3 HOMO-3 = a E LUMO E HOMO 1 + b(e LUMO+1 E HOMO ) J-L. Bredas et al., Acc. Chem. Res., 1999, 32, 267.
8 Configuration Interaction Approach E S 1 S 2 S 2 S 1 Configuration interaction (CI) LUMO+3 HOMO LUMO HOMO-1 LUMO HOMO LUMO+1 Case 2: E S1 > E S2 LUMO+2 LUMO+1 i.g., octatetraene LUMO E 1 + E 3 First excited state (S 1 ): S 2 state E S1 = E 1 = E LUMO E HOMO HOMO HOMO-1 E 2 Second excited state (S 2 ): S 1 state HOMO-2 E S2 = a E 2 + b E 3 HOMO-3 = a E LUMO E HOMO 1 + b(e LUMO+1 E HOMO ) J-L. Bredas et al., Acc. Chem. Res., 1999, 32, 267.
9 Kasha's Rule Photon emission (fluorescence or phosphorescence) occurs in appreciable yield only from the lowest excited state, S 1. E LUMO+3 LUMO+2 PPV at S 1 Octatetraene at S 1 HOMO LUMO HOMO-1 LUMO HOMO LUMO+1 LUMO+1 LUMO hν hν + hν HOMO HOMO-1 HOMO-2 HOMO-3 J-L. Bredas et al., Acc. Chem. Res., 1999, 32, 267.
10 Geometry Relaxation at Excited State E S 1 Excited state Electrostatic force theory Coulombic force exerted on the nuclei induces movements of the nuclei to accompany the change in the electron distribution until the force diminish at excited state geometry. Electron density difference between S 0 and S 1 state Ground state E S 0 Reaction coordinate S. Tretiak et al., Phys. Rev. Lett., 2002, 89, H. Nakatsuji et al., J. Phys. Chem. A, 2007, 111, force acting on C nuclei increasing region decreasing region
11 Geometry Relaxation: Change in Bond Length Bond length alternation (BLA) The difference between carbon-carbon single and double bond lengths in the vinyl linkage along the backbone of the polymer Length of double bond Length of single bond BLA = d 1 + d 3 2 d 2 Electron Hole S. Tretiak et al., Phys. Rev. Lett., 2002, 89, H. Nakatsuji et al., J. Phys. Chem. A, 2007, 111, 5473 S. Tretiak et al., J. Phys. Chem. Lett., 2011, 2, 566. Orbital plot of 10-mer MEH-PPV at S 1 state
12 Exciton Self-Trapping Bond length alternation (BLA) Photoluminescence spectra PPV oligomers dispersed in PMMA matrix at 77 K Electron Hole Orbital plot of 10-mer MEH-PPV at S 1 state J. Cornil et al., Chem. Phys. Lett., 1997, 278, 139. S. Tretiak et al., Phys. Rev. Lett., 2002, 89,
13 Geometry Relaxation: Torsion of Backbone Excited state Torsional potential of 8-mer MEH-PPV Ground state Excited state E S 1 Ground state E S 0 Reaction coordinate S. Tretiak et al., Phys. Rev. Lett., 2002, 89, H. Lischka et al., J. Phys. Chem. A, 2013, 117, 2181.
14 Exciton Dynamics in Linear Oligomers Timescale of geometry relaxation Change in bond length Time-resolved fluorescence anisotropy decay profiles change in bond length: 10~100 fs Time-resolved fluorescence spectra for the linear oligothiophenes planarization of backbone : ~10 ps Torsion of backbone D. Kim et al., J. Phys. Chem. Lett., 2016, 7, 452.
15 Remaining Challenges to Be Solved What s a reliable QC calculation for π conjugated system? What s the effect of triplet sates? Would geometry relaxation at excited state occur in many body system? Recent experiments revealed that multi-chromophores (excitons) segment along a polymer chain, but there is not yet QC calculation demonstrating this phenomenon. An example of exciton dynamics for linear oligomer has been shown, but the exciton dynamics for more complicated systems are still unclear.
16 Conclusion Considering the effect of electron correlation, configuration interaction approach is a generally scheme to describe electronic structure at excited state. The change of charge distribution after excitation induces a set of driving force on the nuclei, and leads to the geometry relaxation of conjugated polymers. The exciton dynamics is attributed to the different time scale of bond-length change and backbone planarization, which result in exciton self-trapping and exciton delocalization, respectively.
Electronic Supplementary Information (ESI)
Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is the Owner Societies 2017 Electronic Supplementary Information (ESI) The correspondence between conformational
More informationi) impact of interchain interactions
i) impact of interchain interactions multiple experimental observations: in dilute solutions or inert matrices: the photoluminescence quantum yield of a given conjugated polymers can be very large: up
More informationOrganic Electronic Devices
Organic Electronic Devices Week 5: Organic Light-Emitting Devices and Emerging Technologies Lecture 5.5: Course Review and Summary Bryan W. Boudouris Chemical Engineering Purdue University 1 Understanding
More informationTowards a deeper understanding of polymer solar cells
Towards a deeper understanding of polymer solar cells Jan Anton Koster Valentin Mihailetchi Prof. Paul Blom Molecular Electronics Zernike Institute for Advanced Materials and DPI University of Groningen
More informationLuminescence. Photoluminescence (PL) is luminescence that results from optically exciting a sample.
Luminescence Topics Radiative transitions between electronic states Absorption and Light emission (spontaneous, stimulated) Excitons (singlets and triplets) Franck-Condon shift(stokes shift) and vibrational
More informationVikram Kuppa School of Energy, Environmental, Biological and Medical Engineering College of Engineering and Applied Science University of Cincinnati
Vikram Kuppa School of Energy, Environmental, Biological and Medical Engineering College of Engineering and Applied Science University of Cincinnati vikram.kuppa@uc.edu Fei Yu Yan Jin Andrew Mulderig Greg
More informationIntroduction. Fang-Chung Chen Department of Photonics and Display Institute National Chiao Tung University. Organic light-emitting diodes
rganic light-emitting diodes Introduction Fang-Chung Chen Department of Photonics and Display Institute National Chiao Tung University rganic light-emitting diodes --The emerging technology LED Displays
More informationSupplementary Figures:
Supplementary Figures: dcdtbt vibration spectrum: Ground state blue vs Cation state red Intensity a.u. 1000 1100 1200 1300 1400 1500 1600 1700 Frequency cm^1 dcdtbt vibration spectrum: Ground state blue
More informationOrganic Photovoltaics: Current State of the Art and the Role of Delocalization
Organic Photovoltaics: Current State of the Art and the Role of Delocalization David A. Vanden Bout Department of Chemistry University of Texas at Austin Skoltech Energy Colloquium 22/9/16 Potential Advantages
More informationPhotovoltaics. Lecture 7 Organic Thin Film Solar Cells Photonics - Spring 2017 dr inż. Aleksander Urbaniak
Photovoltaics Lecture 7 Organic Thin Film Solar Cells Photonics - Spring 2017 dr inż. Aleksander Urbaniak Barcelona, Spain Perpignan train station, France source: pinterest Why organic solar cells? 1.
More informationПоляризационная спектроскопия
UNIVERSITY OF CAMBRIDGE Cavendish laboratory Поляризационная спектроскопия органических полупроводников Артем Бакулин Plastic electronics Transistors Displays Solar cells The bulk-heterojunction concept:
More informationDesign of organic TADF molecules. The role of E(S 1 -T 1 ): From fluorescence to TADF and beyond - towards the fourth generation OLED mechanism.
Design of organic TADF molecules. The role of E(S -T ): From fluorescence to TADF and beyond - towards the fourth generation OLED mechanism. H. Yersin, L. Mataranga-Popa, R. Czerwieniec University of Regensburg,
More informationCHARGE CARRIERS PHOTOGENERATION. Maddalena Binda Organic Electronics: principles, devices and applications Milano, November 23-27th, 2015
CHARGE CARRIERS PHOTOGENERATION Maddalena Binda Organic Electronics: principles, devices and applications Milano, November 23-27th, 2015 Charge carriers photogeneration: what does it mean? Light stimulus
More information7 Conjugated Polymers
7 Conjugated Polymers The large majority of polymers, first of all the broadly used commodity materials polyethylene, polypropylene, poly(ethylene terephthalate) or polystyrene, have similar electrical
More informationVibronic quantum dynamics of exciton relaxation/trapping in molecular aggregates
Symposium, Bordeaux Vibronic quantum dynamics of exciton relaxation/trapping in molecular aggregates Alexander Schubert Institute of Physical and Theoretical Chemistry, University of Würzburg November
More informationOrganic Solar Cells. All Organic solar cell. Dye-sensitized solar cell. Dye. τ inj. τ c. τ r surface states D*/D + V o I 3 D/D.
The 4th U.S.-Korea NanoForum April 26-27, 2007, Honolulu, USA Improvement of Device Efficiency in Conjugated Polymer/Fullerene NanoComposite Solar Cells School of Semiconductor & Chemical Engineering *
More informationELECTROLUMINESCENCE OF POLYMERS
Universität Potsdam Institute of Physics and Astronomy Advanced Physics Lab Course May 2015 M7 ELECTROLUMINESCENCE OF POLYMERS I. INTRODUCTION The recombination of holes and electrons in a luminescent
More informationTriplet state diffusion in organometallic and organic semiconductors
Triplet state diffusion in organometallic and organic semiconductors Prof. Anna Köhler Experimental Physik II University of Bayreuth Germany From materials properties To device applications Organic semiconductors
More informationSfb 658 Colloquium 11 May Part II. Introduction to Two-Photon-Photoemission (2PPE) Spectroscopy. Martin Wolf
Sfb 658 Colloquium 11 May 2006 Part II Introduction to Two-Photon-Photoemission (2PPE) Spectroscopy Martin Wolf Motivation: Electron transfer across interfaces key step for interfacial and surface dynamics
More informationSemiconductor Polymer
Semiconductor Polymer Organic Semiconductor for Flexible Electronics Introduction: An organic semiconductor is an organic compound that possesses similar properties to inorganic semiconductors with hole
More informationSupporting Information for
Supporting Information for Molecular Rectification in Conjugated Block Copolymer Photovoltaics Christopher Grieco 1, Melissa P. Aplan 2, Adam Rimshaw 1, Youngmin Lee 2, Thinh P. Le 2, Wenlin Zhang 2, Qing
More informationSupporting Information
Structural Factors Determining Photophysical Properties of Directly linked Zinc(II) Porphyrin Dimers; Linking Position, Dihedral Angle, and Linkage Length Sung Cho, Min Chul Yoon, Jong Min Lim, Pyosang
More informationOPV Workshop September 20, Materials for Polymer Solar Cells: Achievements and Challenges. Wei You
OPV Workshop September 20, 2012 Materials for Polymer Solar Cells: Achievements and Challenges Wei You Department of Chemistry University of North Carolina at Chapel Hill 1 Bulk Heterojunction Solar Cell
More informationBASIC CONCEPTS on ORGANIC SEMICONDUCTORS. Marco Sampietro COURSE OVERVIEW
Advanced Course on ORGANIC ELECRONICS Principles, devices and applications BASIC CONCEPTS on ORGANIC SEMICONDUCTORS Marco Sampietro 1 Basics on Organic Devices COURSE OVERVIEW How the organic semiconductor
More informationMOSTOPHOS: Modelling stability of organic phosphorescent light-emitting diodes
MOSTOPHOS: Modelling stability of organic phosphorescent light-emitting diodes Version Date: 2015.11.13. Last updated 2016.08.16. 1 USER CASE 2 3 4 CHAIN OF MODELS PUBLICATION ON THIS SIMULATION ACCESS
More informationElectronic excitations in conjugated. Many-Body Green's Functions. Behnaz Bagheri Varnousfaderani. Behnaz Bagheri Varnousfaderani
Technische Universiteit Eindhoven University of Technology Electronic excitations in conjugated polymers Electronic from excitations QM/MM simulations in conjugated pol based from on Many-Body QM/MM simulations
More informationCharge Extraction from Complex Morphologies in Bulk Heterojunctions. Michael L. Chabinyc Materials Department University of California, Santa Barbara
Charge Extraction from Complex Morphologies in Bulk Heterojunctions Michael L. Chabinyc Materials Department University of California, Santa Barbara OPVs Vs. Inorganic Thin Film Solar Cells Alta Devices
More informationHow does a polymer LED OPERATE?
How does a polymer LED OPERATE? Now that we have covered many basic issues we can try and put together a few concepts as they appear in a working device. We start with an LED:. Charge injection a. Hole
More informationThe driving force dependence of charge Carrier dynamics in donor-acceptor Organic photovoltaic systems using Optical and electronic techniques
University of Wollongong Research Online University of Wollongong Thesis Collection 2017+ University of Wollongong Thesis Collections 2017 The driving force dependence of charge Carrier dynamics in donor-acceptor
More informationIntroduction to Organic Solar Cells
Introduction to Organic Solar Cells Dr Chris Fell Solar Group Leader CSIRO Energy Technology, Newcastle, Australia Organic semiconductors Conductivity in polyacetylene 1970s Nobel Prize Alan J. Heeger
More informationBlue shift in the luminescence spectra of MEH-PPV films containing ZnO. nanoparticles
Blue shift in the luminescence spectra of MEH-PPV films containing ZnO nanoparticles Cuong Ton-That * and Matthew R. Phillips Department of Physics and Advanced Materials, University of Technology Sydney,
More informationGeneral Considerations 1
General Considerations 1 Absorption or emission of electromagnetic radiation results in a permanent energy transfer from the emitting object or to the absorbing medium. This permanent energy transfer can
More informationInfluence of Molecular Conformations and Microstructure on the Optoelectronic Properties of Conjugated Polymers
Materials 2014, 7, 2273-2300; doi:10.3390/ma7032273 Review OPEN ACCESS materials ISSN 1996-1944 www.mdpi.com/journal/materials Influence of Molecular Conformations and Microstructure on the Optoelectronic
More informationSupplementary information for the paper
Supplementary information for the paper Structural correlations in the generation of polaron pairs in lowbandgap polymers for photovoltaics Supplementary figures Chemically induced OD 0,1 0,0-0,1 0,1 0,0-0,1
More informationQuantum dynamics in complex environments towards biological and nanostructured systems
Quantum dynamics in complex environments towards biological and nanostructured systems Chris Engelbrecht Summer School on Quantum Biology Lecture 4 Irene Burghardt Department of Physical and Theoretical
More informationMONTE CARLO SIMULATION OF POLYMER SOLAR CELLS
International Journal of Physics and Research Vol., Issue (0) -9 TJPRC Pvt. Ltd., MONTE CARLO SIMULATION OF POLYMER SOLAR CELLS G.U. Panapitiya * and K.A.I.L.Wijewardena Gamalath** Department of Physics,
More informationBasic Photoexcitation and Modulation Spectroscopy
Basic Photoexcitation and Modulation Spectroscopy Intro Review lock-in detection Photoinduced absorption Electroabsorption (Stark) Spectroscopy Charge Modulation Photoexcite sample Take absorption spectra
More informationMaking OLEDs efficient
Making OLEDs efficient cathode anode light-emitting layer η = γ EL r ηpl k st External Efficiency Outcoupling Internal efficiency of LEDs η = γ EL r ηpl k st γ = excitons formed per charge flowing in the
More informationElectroluminescence from Silicon and Germanium Nanostructures
Electroluminescence from silicon Silicon Getnet M. and Ghoshal S.K 35 ORIGINAL ARTICLE Electroluminescence from Silicon and Germanium Nanostructures Getnet Melese* and Ghoshal S. K.** Abstract Silicon
More informationChapter 6. Electronic spectra and HOMO-LUMO studies on Nickel, copper substituted Phthalocyanine for solar cell applications
Chapter 6 Electronic spectra and HOMO-LUMO studies on Nickel, copper substituted Phthalocyanine for solar cell applications 6.1 Structures of Ni, Cu substituted Phthalocyanine Almost all of the metals
More informationSupporting information
Supporting information Sensitizing Tb(III) and Eu(III) Emission with Triarylboron Functionalized 1,3-diketonato Ligands Larissa F. Smith, Barry A. Blight, Hee-Jun Park, and Suning Wang* Department of Chemistry,
More informationOrganic Electronic Devices
Organic Electronic Devices Week 4: Organic Photovoltaic Devices Lecture 4.1: Overview of Organic Photovoltaic Devices Bryan W. Boudouris Chemical Engineering Purdue University 1 Lecture Overview and Learning
More informationUniversity of Groningen. Organic donor-acceptor systems Serbenta, Almis
University of Groningen Organic donor-acceptor systems Serbenta, Almis IMPORTANT NOTE: You are advised to consult the publisher's version (publisher's PDF) if you wish to cite from it. Please check the
More informationChemistry 2. Molecular Photophysics
Chemistry 2 Lecture 12 Molecular Photophysics Assumed knowledge Electronic states are labelled using their spin multiplicity with singlets having all electron spins paired and triplets having two unpaired
More informationChemistry Instrumental Analysis Lecture 3. Chem 4631
Chemistry 4631 Instrumental Analysis Lecture 3 Quantum Transitions The energy of a photon can also be transferred to an elementary particle by adsorption if the energy of the photon exactly matches the
More informationSUPPLEMENTARY INFORMATION
SUPPLEMENTARY INFORMATION DOI: 10.1038/NPHYS2210 Femtosecond torsional relaxation Theoretical methodology: J. Clark, S. Tretiak, T. Nelson, G. Cirmi & G. Lanzani To model non-adiabatic excited state dynamics
More informationExcited State Processes
Excited State Processes Photophysics Fluorescence (singlet state emission) Phosphorescence (triplet state emission) Internal conversion (transition to singlet gr. state) Intersystem crossing (transition
More informationPractical 1: Structure and electronic properties of organic molecules. B/ Structure, electronic and vibrational properties of the water molecule
D1CH9116 - MMCO Molecular Modelling applied to organic chemistry Practical 1: tructure and electronic properties of organic molecules B/ tructure, electronic and vibrational properties of the water molecule
More informationLABORATORY OF ELEMENTARY BIOPHYSICS
LABORATORY OF ELEMENTARY BIOPHYSICS Experimental exercises for III year of the First cycle studies Field: Applications of physics in biology and medicine Specialization: Molecular Biophysics Fluorescence
More informationSupplementary Figure 1: Absorbance and photoluminescence spectra. UV/Vis absorbance and photoluminescence spectra of (a) SiIDT-2FBT and
Supplementary Figure 1: Absorbance and photoluminescence spectra. UV/Vis absorbance and photoluminescence spectra of (a) SiIDT-2FBT and SiIDT-2FBT/PC70BM (1:2) thin films and (b) SiIDT-DTBT and SiIDT-DTBT/PC70BM
More informationElectronic and Optoelectronic Polymers
Electronic and Optoelectronic Polymers Wen-Chang Chen Department of Chemical Engineering Institute of Polymer Science and Engineering National Taiwan University Outlines History of Conjugated Polymers
More informationAssumed knowledge. Chemistry 2. Learning outcomes. Electronic spectroscopy of polyatomic molecules. Franck-Condon Principle (reprise)
Chemistry 2 Lecture 11 Electronic spectroscopy of polyatomic molecules Assumed knowledge For bound excited states, transitions to the individual vibrational levels of the excited state are observed with
More information5.80 Small-Molecule Spectroscopy and Dynamics
MIT OpenCourseWare http://ocw.mit.edu 5.80 Small-Molecule Spectroscopy and Dynamics Fall 2008 For information about citing these materials or our Terms of Use, visit: http://ocw.mit.edu/terms. 5.80 Lecture
More informationXinwen Zhang, 1 Zhaoxin Wu, 1 Dongdong Wang, 2 Dawei Wang, 1 Xun Hou 1
Effects of Dilution and Charge Trapping on the Performance of a Light-Emitting Diode of Poly(9-vinylcarbazole) Doped with Poly[2-methoxy-5-(2 0 -ethyl hexyloxy) 1,4-phenylene vinylene] Xinwen Zhang, 1
More informationSupporting Information: Poly(dimethylsiloxane) Stamp Coated with a. Low-Surface-Energy, Diffusion-Blocking,
Supporting Information: Poly(dimethylsiloxane) Stamp Coated with a Low-Surface-Energy, Diffusion-Blocking, Covalently Bonded Perfluoropolyether Layer and Its Application to the Fabrication of Organic Electronic
More informationSi-nanoparticles embedded in solid matrices for solar energy conversion: electronic and optical properties from first principles
Si-nanoparticles embedded in solid matrices for solar energy conversion: electronic and optical properties from first principles S. Wippermann, M. Vörös, D. Rocca, T. Li, A. Gali, G. Zimanyi, F. Gygi,
More information[ppm] Electronic supplementary information. Figure H NMR of P4 in 1,2-dichlorobenzene-d 4 at 373 K.
Electronic supplementary information * * * 10 8 6 4 2 0 [ppm] Figure 11. 1 H NMR of P4 in 1,2-dichlorobenzene-d 4 at 373 K. -100-110 -120-130 -140-150 -160 [ppm] Figure 2. 19 F NMR of P4 in 1,2-dichlorobenzene-d
More informationК вопросу о «горячей диссоциации»
UNIVERSITY OF CAMBRIDGE Cavendish laboratory К вопросу о «горячей диссоциации» экситонов в органических полупроводниках Артем Бакулин Plastic electronics Displays Transistors Solar cells Recent hot debates
More informationOrigin of spectral broadening in -conjugated amorphous semiconductors
PHYSICAL REVIEW B 66, 155206 2002 Origin of spectral broadening in -conjugated amorphous semiconductors J. M. Lupton, 1, * I. D. W. Samuel, 2 and P. L. Burn 3 1 Max Planck Institute for Polymer Research,
More informationMESOSCOPIC MODELLING OF BIPOLAR CHARGE EVOLUTION IN CN-PPV LEDs
Abstract MESOSCOPIC MODELLING OF BIPOLAR CHARGE EVOLUTION IN CN-PPV LEDs Marta M. D. Ramos, Helena M. G. Correia, R. Mendes Ribeiro Departamento de Física, Universidade do Minho, Campus de Gualtar, 4710-057
More informationPhysical Chemistry Lab II CHEM 4644 Spring 2011 Final Exam 5 questions at 3 points each equals 15 total points possible.
Physical Chemistry Lab II Name: KEY CHEM 4644 Spring 2011 Final Exam 5 questions at 3 points each equals 15 total points possible. Constants: c = 3.00 10 8 m/s h = 6.63 10-34 J s 1 Hartree = 4.36 10-18
More informationChapter 4 Relaxation Dynamics of CNDSB Nanobelts. In previous section, we have report the relaxation dynamics of PPB and its
Chapter 4 Relaxation Dynamics of CNDSB Nanobelts 4.1 Introduction In previous section, we have report the relaxation dynamics of PPB and its nanoparticles by the using of field-emission scanning electron
More informationTkBIZ 1 Characteristics of the Samples. Sample % Styrene Microstructure of Tg (in mass) PI or PB phase ( C) % % % cis trans vinyl
192 L. Bokobza et al. required for the excimer formation process depends on the free volume as described by the WLF equation. The 10,10'-diphenyl-bis-9- anthrylmethyloxide called 'diphant' for convenience:
More informationSinglet. Fluorescence Spectroscopy * LUMO
Fluorescence Spectroscopy Light can be absorbed and re-emitted by matter luminescence (photo-luminescence). There are two types of luminescence, in this discussion: fluorescence and phosphorescence. A
More informationSurface Plasmon Enhanced Light Emitting Devices
Surface Plasmon Enhanced Light Emitting Devices Alexander Mikhailovsky, Jacek Ostrowski, Hadjar Benmansour, and Guillermo Bazan + Department of Chemistry and Biochemistry, University of California Santa
More informationAndrew Rosen *Note: If you can rotate a molecule to have one isomer equal to another, they are both the same
*Note: If you can rotate a molecule to have one isomer equal to another, they are both the same *Note: For hybridization, if an SP 2 is made, there is one unhybridized p orbital (because p usually has
More informationFlexible Organic Photovoltaics Employ laser produced metal nanoparticles into the absorption layer 1. An Introduction
Flexible Organic Photovoltaics Employ laser produced metal nanoparticles into the absorption layer 1. An Introduction Among the renewable energy sources that are called to satisfy the continuously increased
More information+ - Indirect excitons. Exciton: bound pair of an electron and a hole.
Control of excitons in multi-layer van der Waals heterostructures E. V. Calman, C. J. Dorow, M. M. Fogler, L. V. Butov University of California at San Diego, S. Hu, A. Mishchenko, A. K. Geim University
More informationUnderstanding Electronic Excitations in Complex Systems
Understanding Electronic Excitations in Complex Systems Felix Plasser González Research Group Institute for Theoretical Chemistry, University of Vienna, Austria Innsbruck, September 23 rd, 2015 Introduction
More informationConjugated polymer aggregates in solution: Control of interchain interactions
JOURNAL OF CHEMICAL PHYSICS VOLUME 110, NUMBER 8 22 FEBRUARY 1999 Conjugated polymer aggregates in solution: Control of interchain interactions Thuc-Quyen Nguyen, Vinh Doan, and Benjamin J. Schwartz a)
More informationSupporting Information
Supporting Information Non-Fullerene/Fullerene Acceptor Blend with Tunable Energy State for High- Performance Ternary Organic Solar Cells Min Kim 1, Jaewon Lee 1, Dong Hun Sin 1, Hansol Lee 1, Han Young
More informationSupplemental Material
This journal is The Owner Societies 1 Supplemental Material Significant Role of DNA Backbone in Mediating the Transition Origin of Electronic Excitations of B-DNA Implication from Long Range Corrected
More informationSpin-dependent exciton formation rates in p-conjugated oligomers and polymers
Physica B 338 (23) 38 322 Spin-dependent exciton formation rates in p-conjugated oligomers and polymers M. Wohlgenannt a, *, X.M. Jiang b, Z.V. Vardeny b a Department of Physics and Astronomy, University
More informationRelaxation dynamics and exciton energy transfer in the low-temperature phase of MEH-PPV
Relaxation dynamics and exciton energy transfer in the low-temperature phase of MEH-PPV Cristina Consani, Federico Koch, Fabian Panzer, Thomas Unger, Anna Köhler, and Tobias Brixner Citation: The Journal
More informationThis article appeared in a journal published by Elsevier. The attached copy is furnished to the author for internal non-commercial research and
This article appeared in a journal published by Elsevier. The attached copy is furnished to the author for internal non-commercial research and education use, including for instruction at the authors institution
More informationSUPPLEMENTARY INFORMATION
SUPPLEMENTARY INFORMATION DOI: 10.1038/NNANO.2012.63 Bright infrared quantum-dot light-emitting diodes through inter-dot spacing control Liangfeng Sun, Joshua J. Choi, David Stachnik, Adam C. Bartnik,
More informationMonolayer Semiconductors
Monolayer Semiconductors Gilbert Arias California State University San Bernardino University of Washington INT REU, 2013 Advisor: Xiaodong Xu (Dated: August 24, 2013) Abstract Silicon may be unable to
More informationGeneration of light Light sources
Generation of light Light sources Black-body radiation Luminescence Luminescence Laser Repetition Types of energy states in atoms and molecules are independent (not coupled) Energy states are non-continuous,
More informationElectronic Supplementary Information
Electronic Supplementary Material (ESI) for Energy & Environmental Science. This journal is The Royal Society of Chemistry 2018 Electronic Supplementary Information Ultrafast Channel II Process Induced
More informationSemiconductor quantum dots
Semiconductor quantum dots Quantum dots are spherical nanocrystals of semiconducting materials constituted from a few hundreds to a few thousands atoms, characterized by the quantum confinement of the
More informationMultiple Exciton Generation in Quantum Dots. James Rogers Materials 265 Professor Ram Seshadri
Multiple Exciton Generation in Quantum Dots James Rogers Materials 265 Professor Ram Seshadri Exciton Generation Single Exciton Generation in Bulk Semiconductors Multiple Exciton Generation in Bulk Semiconductors
More informationTowards Efficient Carbon-Based Solar Cells
Towards Efficient Carbon-Based Solar Cells Investigators 2014 GCEP Report - External Zhenan Bao, Professor, Chemical Engineering Huiliang Wang, Graduate Researcher Ghada Koleilat, Postdoctoral Researcher
More informationSUPPLEMENTARY INFORMATION
SUPPLEMENTARY INFORMATION DOI: 10.1038/NMAT3502 Hot Exciton Dissociation in Polymer Solar Cells G. Grancini 1, M. Maiuri 2, D. Fazzi 1, A. Petrozza 1, H-J. Egelhaaf 3, D. Brida 2, G. Cerullo 2 and G. Lanzani
More informationChapter 6 Photoluminescence Spectroscopy
Chapter 6 Photoluminescence Spectroscopy Course Code: SSCP 4473 Course Name: Spectroscopy & Materials Analysis Sib Krishna Ghoshal (PhD) Advanced Optical Materials Research Group Physics Department, Faculty
More informationMesoporous titanium dioxide electrolyte bulk heterojunction
Mesoporous titanium dioxide electrolyte bulk heterojunction The term "bulk heterojunction" is used to describe a heterojunction composed of two different materials acting as electron- and a hole- transporters,
More informationSenior Project Thesis Senior Project Committee, Department of Physics, Case Western Reserve University
Liquid Crystal Semiconductor Nanostructures Richard Metzger,Department of Physics, Case Western Reserve University Nick Lind, Department of Physics, Case Western Reserve University Professor K. Singer,
More informationSupplementary Figures
Supplementary Figures Supplementary Figure 1. AFM profiles of the charge transport and perovskite layers. AFM Image showing the thickness (y axis) of the layer with respect to the horizontal position of
More informationFluorescence Spectroscopy
Fluorescence Spectroscopy Frequency and time dependent emission Emission and Excitation fluorescence spectra Stokes Shift: influence of molecular vibrations and solvent Time resolved fluorescence measurements
More informationXV 74. Flouorescence-Polarization-Circular-Dichroism- Jablonski diagram Where does the energy go?
XV 74 Flouorescence-Polarization-Circular-Dichroism- Jablonski diagram Where does the energy go? 1) Excite system through A Absorbance S 0 S n Excite from ground excited singlet S = 0 could be any of them
More informationCD Basis Set of Spectra that is used is that derived from comparing the spectra of globular proteins whose secondary structures are known from X-ray
CD Basis Set of Spectra that is used is that derived from comparing the spectra of globular proteins whose secondary structures are known from X-ray crystallography An example of the use of CD Modeling
More informationOLEDs and PLEDs Nele Schumacher Incoherent Lightsources - Prof. Thomas Jüstel
OLEDs and PLEDs 28.5.2014 Nele Schumacher Incoherent Lightsources - Prof. Thomas Jüstel Contents 1. History 2. Working principle 4. Preparation of multilayer devices 5. Advantages and disadvantages 6.
More informationSinglet fission for solar energy conversion A theoretical insight
Singlet fission for solar energy conversion A theoretical insight David Casanova Quantum Days in Bilbao July 16, 2014 Harvesting Solar Energy Solar energy 1h = 1 year human consumption We use ~ 0.07% Earth
More informationOpto-electronic Characterization of Perovskite Thin Films & Solar Cells
Opto-electronic Characterization of Perovskite Thin Films & Solar Cells Arman Mahboubi Soufiani Supervisors: Prof. Martin Green Prof. Gavin Conibeer Dr. Anita Ho-Baillie Dr. Murad Tayebjee 22 nd June 2017
More informationLectures Spectroscopy. Fall 2012
Lectures 19-20 Spectroscopy Fall 2012 1 spectroscopic principles (Chem 1M/1N exps. #6 and #11) 4 1 spectroscopic excitations ( E = h = hc/ ; = c ) (nm) (sec -1 ) radiation technique molecular excitation
More informationComputational Study on the Dependence of Electronic Transition Energies of Porphin, Chlorin, Mg-Chlorin and Chlorophyll a on an External Charge
Effect of External Charge on Electronic Energy of Chlorophyll Bull. Korean Chem. Soc. 2013, Vol. 34, No. 2 453 http://dx.doi.org/10.5012/bkcs.2013.34.2.453 Computational Study on the Dependence of Electronic
More informationUltraviolet and Visible Spectroscopy. interaction of materials with light at different electronic levels and the extent, to which such
Surname 1 Ultraviolet and Visible Spectroscopy Introduction This experiment was carried out to demonstrate the effect of atomic structure on the interaction of materials with light at different electronic
More informationVibronic Coupling in Quantum Wires: Applications to Polydiacetylene
Vibronic Coupling in Quantum Wires: Applications to Polydiacetylene An Exhaustively Researched Report by Will Bassett and Cole Johnson Overall Goal In order to elucidate the absorbance spectra of different
More informationRole of coherence and delocalization in photo-induced electron transfer at organic interfaces
Supplementary Information to Role of coherence and delocalization in photo-induced electron transfer at organic interfaces V. Abramavicius,, V. Pranckevičius, A. Melianas, O. Inganäs, V. Gulbinas, D. Abramavicius
More informationLectures Spectroscopy. Fall 2012
Lectures 19-20 Spectroscopy Fall 2012 1 spectroscopic principles (Chem 1M/1N exps. #6 and #11) 4 spectroscopic excitations ( E = h = hc/ ; = c ) (nm) (sec -1 ) radiation technique molecular excitation
More informationSpectral Properties of Squaraines and Their Aggregates, Targeted for Use in Bulk Heterojunction
Rochester Institute of Technology RIT Scholar Works Theses Thesis/Dissertation Collections 12-2015 Spectral Properties of Squaraines and Their Aggregates, Targeted for Use in Bulk Heterojunction Solar
More information