skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Charge separation at nanoscale interfaces: Energy-level alignment including two-quasiparticle interactions

Journal Article · · The Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4898155· OSTI ID:1223594
 [1];  [1];  [1];  [1]
  1. Department of Physics, Colorado School of Mines, Golden, Colorado 80401, USA

Sponsoring Organization:
USDOE
Grant/Contract Number:
SC0006433
OSTI ID:
1223594
Journal Information:
The Journal of Chemical Physics, Journal Name: The Journal of Chemical Physics Vol. 141 Journal Issue: 15; ISSN 0021-9606
Publisher:
American Institute of PhysicsCopyright Statement
Country of Publication:
United States
Language:
English

References (57)

High Efficiency Carrier Multiplication in PbSe Nanocrystals: Implications for Solar Energy Conversion journal May 2004
Photoinduced Electron-Transfer Processes along Molecular Wires Based on Phenylenevinylene Oligomers:  A Quantum-Chemical Insight journal March 2002
Silicon quantum dot/crystalline silicon solar cells journal May 2008
Generalized Gradient Approximation Made Simple journal October 1996
A comparative theoretical study of exciton-dissociation and charge-recombination processes in oligothiophene/fullerene and oligothiophene/perylenediimide complexes for organic solar cells journal January 2011
Quantum Dot Solar Cells. Electrophoretic Deposition of CdSe−C 60 Composite Films and Capture of Photogenerated Electrons with n C 60 Cluster Shell journal July 2008
Computational challenges for nanostructure solar cells journal January 2009
Hot-Electron Transfer from Semiconductor Nanocrystals journal June 2010
Photoinduced electron transfer from conjugated polymers to CdSe nanocrystals journal April 1999
Polymer solar cells incorporating one-dimensional polyaniline nanotubes journal December 2008
Multiple Exciton Generation in Colloidal Silicon Nanocrystals journal August 2007
Refinement and Parametrization of COSMO-RS journal June 1998
Hybrid density functional study of oligothiophene/ZnO interface for photovoltaics journal March 2011
Exciton Dissociation at Thiophene/Fullerene Interfaces: The Electronic Structures and Quantum Dynamics journal April 2011
Electronic Structure and Geminate Pair Energetics at Organic–Organic Interfaces: The Case of Pentacene/C 60 Heterojunctions journal December 2009
Ultrafast Charge Separation at CdS Quantum Dot/Rhodamine B Molecule Interface journal December 2007
Doping- and size-dependent photovoltaic properties of p-type Si-quantum-dot heterojunction solar cells: correlation with photoluminescence journal August 2010
An all‐electron numerical method for solving the local density functional for polyatomic molecules journal January 1990
Absolute Rate of Charge Separation and Recombination in a Molecular Model of the P3HT/PCBM Interface journal December 2010
Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies journal October 1986
Finite-difference-pseudopotential method: Electronic structure calculations without a basis journal February 1994
Quantum Dot Solar Cells. Semiconductor Nanocrystals as Light Harvesters journal October 2008
Ultraviolet photoelectron spectroscopy investigation of electron affinity and polarity on a cylindrical GaAs single crystal journal June 1983
On the Interface Dipole at the Pentacene−Fullerene Heterojunction: A Theoretical Study journal February 2010
Orientation dependent ionization potential of In 2 O 3 : a natural source for inhomogeneous barrier formation at electrode interfaces in organic electronics journal August 2011
Electronic excitations: density-functional versus many-body Green’s-function approaches journal June 2002
Effects of solvent and annealing on the improved performance of solar cells based on poly(3-hexylthiophene): Fullerene journal May 2005
Quantum Dot Solar Cells. Tuning Photoresponse through Size and Shape Control of CdSe−TiO 2 Architecture journal March 2008
Vibrational cooling in a cold ion trap: Vibrationally resolved photoelectron spectroscopy of cold C60− anions journal August 2005
Quantum Monte Carlo calculations of the energy-level alignment at hybrid interfaces: Role of many-body effects journal May 2009
Role of Semiconducting and Metallic Tubes in P3HT/Carbon-Nanotube Photovoltaic Heterojunctions: Density Functional Theory Calculations journal March 2008
Exciton dissociation dynamics in model donor-acceptor polymer heterojunctions. I. Energetics and spectra journal June 2005
Charge-transfer excitations in molecular donor-acceptor complexes within the many-body Bethe-Salpeter approach journal October 2011
Charge Separation in Type II Tunneling Structures of Close-packed CdTe and CdSe Nanocrystals journal May 2008
Temperature Independence of the Photoinduced Electron Injection in Dye-Sensitized TiO 2 Rationalized by Ab Initio Time-Domain Density Functional Theory journal July 2008
Calculated natural band offsets of all II–VI and III–V semiconductors: Chemical trends and the role of cation d orbitals journal April 1998
Measured appearance energies of fragment ions produced by electron impact on journal November 1996
Competition between Energy and Electron Transfer from CdSe QDs to Adsorbed Rhodamine B journal December 2009
Exciton-Dissociation and Charge-Recombination Processes in Pentacene/C 60 Solar Cells: Theoretical Insight into the Impact of Interface Geometry journal November 2009
Theoretical studies on the electronic and optical properties of arene- versus fluoroarene-thiophene co-oligomer journal July 2009
Surface potentials of magnetron sputtered transparent conducting oxides journal December 2009
Comprehensive photoelectron spectroscopic study of anionic clusters of anthracene and its alkyl derivatives: Electronic structures bridging molecules to bulk journal December 2007
Optical excitations in organic molecules, clusters, and defects studied by first-principles Green’s function methods journal May 2006
Electron Relaxation in Colloidal InP Quantum Dots with Photogenerated Excitons or Chemically Injected Electrons journal January 2003
Two-laser photoionization supersonic jet mass spectrometry of aromatic molecules journal January 1988
Insights on Interfacial Charge Transfer Across P3HT/Fullerene Photovoltaic Heterojunction from Ab Initio Calculations journal July 2007
Pathways for Photoinduced Charge Separation and Recombination at Donor−Acceptor Heterojunctions:  The Case of Oligophenylenevinylene−Perylene Bisimide Complexes journal March 2006
Size-Dependent Electron Injection from Excited CdSe Quantum Dots into TiO 2 Nanoparticles journal April 2007
Efficient Exciton Transport between Strongly Quantum-Confined Silicon Quantum Dots journal April 2012
High-Pressure Study of Free Excitons and Self-Trapped Excitons in Anthracene Crystals at 1.5 K journal March 1989
Surface dipole and Fermi-level position on clean, oxygen-, and water-covered cylindrical Si crystals: A photoelectron spectroscopy study journal February 1985
Photoinduced charge transfer in composites of conjugated polymers and semiconductor nanocrystals journal November 2003
Charge separation in nanoscale photovoltaic materials: recent insights from first-principles electronic structure theory journal January 2010
Electron-hole excitations and optical spectra from first principles journal August 2000
Quantum Dot Solar Cells. Harvesting Light Energy with CdSe Nanocrystals Molecularly Linked to Mesoscopic TiO 2 Films journal February 2006
Electronic structures of interfacial states formed at polymeric semiconductor heterojunctions journal April 2008
Lowest Optical Excitations in Molecular Crystals: Bound Excitons versus Free Electron-Hole Pairs in Anthracene journal April 2004