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Electronic and optical excitations of the PTB7 crystal: First-principles GW-BSE calculations

Journal Article · · Physical Review B
; ;
Not Available
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC02-05CH11231; SC0001059
OSTI ID:
1181103
Alternate ID(s):
OSTI ID: 1210325
OSTI ID: 1386538
Journal Information:
Physical Review B, Journal Name: Physical Review B Journal Issue: 19 Vol. 90; ISSN 1098-0121; ISSN PRBMDO
Publisher:
American Physical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (53)

Plastic Solar Cells journal February 2001
For the Bright Future-Bulk Heterojunction Polymer Solar Cells with Power Conversion Efficiency of 7.4% journal May 2010
When Function Follows Form: Effects of Donor Copolymer Side Chains on Film Morphology and BHJ Solar Cell Performance journal November 2010
Ab-initio study of excitonic effects in conventional and organic semiconductors journal July 2005
Crystal Optics with Spatial Dispersion, and Excitons book January 1984
The lowest energy Frenkel and charge-transfer excitons in quasi-one-dimensional structures: application to MePTCDI and PTCDA crystals journal August 2000
yambo: An ab initio tool for excited state calculations journal August 2009
A New Class of Semiconducting Polymers for Bulk Heterojunction Solar Cells with Exceptionally High Performance journal September 2010
Molecular Design of Photovoltaic Materials for Polymer Solar Cells: Toward Suitable Electronic Energy Levels and Broad Absorption journal January 2012
Conjugated Polymer Photovoltaic Cells journal November 2004
Synthetic Control of Structural Order in N-Alkylthieno[3,4-c]pyrrole-4,6-dione-Based Polymers for Efficient Solar Cells
  • Piliego, Claudia; Holcombe, Thomas W.; Douglas, Jessica D.
  • Journal of the American Chemical Society, Vol. 132, Issue 22, p. 7595-7597 https://doi.org/10.1021/ja103275u
journal June 2010
Highly Efficient Solar Cell Polymers Developed via Fine-Tuning of Structural and Electronic Properties journal June 2009
Fine-Tuning of Fluorinated Thieno[3,4-b]thiophene Copolymer for Efficient Polymer Solar Cells journal February 2013
Thieno[3,4- c ]pyrrole-4,6-dione-Based Donor−Acceptor Conjugated Polymers for Solar Cells journal January 2011
Benzobisthiazole−Thiophene Copolymer Semiconductors: Synthesis, Enhanced Stability, Field-Effect Transistors, and Efficient Solar Cells journal November 2009
Current trends in the optimization of low band gap polymers in bulk heterojunction photovoltaic devices journal January 2011
Structures and properties of conjugated Donor–Acceptor copolymers for solar cell applications journal January 2012
Interchain interaction and Davydov splitting in polythiophene crystals: An ab initio approach journal June 2002
Ab initio electronic and optical spectra of free-base porphyrins: The role of electronic correlation journal August 2009
Structural, electronic, and linear optical properties of organic photovoltaic PBTTT-C14 crystal journal April 2013
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal September 2009
The role of polymorphism in organic thin films: oligoacenes investigated from first principles journal December 2009
Excitations in Organic Solids book January 2008
New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem journal August 1965
A Relativistic Equation for Bound-State Problems journal December 1951
Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies journal October 1986
Efficient pseudopotentials for plane-wave calculations journal January 1991
Projector augmented-wave method journal December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Theory of optical absorption in diamond, Si, Ge, and GaAs journal April 1998
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Electronic and optical excitations in crystalline conjugated polymers journal July 2002
Optical absorption spectra of semiconductors and insulators including electron-hole correlations: An ab initio study within the LAPW method journal October 2002
Ab initio calculation of the electronic and optical properties of solid pentacene journal March 2003
Bound excitons and optical properties of bulk trans -polyacetylene journal November 2004
Oligoacene exciton binding energies: Their dependence on molecular size journal February 2005
Optical spectra and exchange-correlation effects in molecular crystals journal April 2008
Quasiparticle and optical spectroscopy of the organic semiconductors pentacene and PTCDA from first principles journal March 2012
2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure and optical response journal April 2012
Linear optical properties and electronic structures of poly(3-hexylthiophene) and poly(3-hexylselenophene) crystals from first principles journal August 2012
Excitons in molecular crystals from first-principles many-body perturbation theory: Picene versus pentacene journal November 2012
Frenkel versus charge-transfer exciton dispersion in molecular crystals journal November 2013
Generalized Gradient Approximation Made Simple journal October 1996
Ab Initio Calculation of Excitonic Effects in the Optical Spectra of Semiconductors journal May 1998
Electron-Hole Excitations in Semiconductors and Insulators journal September 1998
Ab Initio Calculation of the Electronic and Optical Excitations in Polythiophene: Effects of Intra- and Interchain Screening journal November 1999
Solid State Effects on Exciton States and Optical Properties of PPV journal May 2002
Suppression of Electron-Hole Correlations in 3D Polymer Materials journal July 2002
Lowest Optical Excitations in Molecular Crystals: Bound Excitons versus Free Electron-Hole Pairs in Anthracene journal April 2004
Van der Waals Density Functional for General Geometries journal June 2004
Electronic excitations: density-functional versus many-body Green’s-function approaches journal June 2002
Exciton properties of selected aromatic hydrocarbon systems journal February 2013
AB-INITIO STUDY ON THE EXCITON BINDING ENERGIES IN ORGANIC SEMICONDUCTORS journal March 2006

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