Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Comparative Study of Covalent and van der Waals CdS Quantum Dot Assemblies from Many-Body Perturbation Theory

Journal Article · · Journal of Physical Chemistry Letters
Not provided.
Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC02-05CH11231
OSTI ID:
2422900
Journal Information:
Journal of Physical Chemistry Letters, Journal Name: Journal of Physical Chemistry Letters Journal Issue: 43 Vol. 13; ISSN 1948-7185
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

References (114)

Quantum Dot Assembly Driven by Electrochemically Generated Metal-Ion Crosslinkers journal June 2021
Excitonic and Quasiparticle Gaps in Si Nanocrystals journal March 2000
Electronic Structure of 1 to 2 nm Diameter Silicon Core/Shell Nanocrystals:  Surface Chemistry, Optical Spectra, Charge Transfer, and Doping journal November 2003
Modeling Superlattices of Dipolar and Polarizable Semiconducting Nanoparticles journal May 2019
Preparation of ZnS–CdS Alloy Quantum Dots by Chemical Synthetic Methods and Size-Selective Photoetching Effects on Size Distribution journal March 2005
Charge Transport in a Quantum Dot Supercrystal journal October 2011
Important role of screening the electron-hole exchange interaction for the optical properties of molecules near metal surfaces journal January 2019
Excitonic Character in Optical Properties of Tetrahedral CdX (X = S, Se, Te) Clusters journal December 2015
PbSe Nanocrystal Solids for n- and p-Channel Thin Film Field-Effect Transistors journal October 2005
Optical Excitations in CdSe/CdS Core–Shell Nanoparticles journal May 2011
Size-Dependent Extinction Coefficients of PbS Quantum Dots journal August 2006
Energy transfer-enhanced photocatalytic reduction of protons within quantum dot light-harvesting–catalyst assemblies journal August 2018
Stability of Quantum Dots, Quantum Dot Films, and Quantum Dot Light‐Emitting Diodes for Display Applications journal January 2019
Silicon single-electron quantum-dot transistor switch operating at room temperature journal March 1998
Highly Luminescent Quantum-Dot Monoliths journal January 2007
Understanding intermediate-band solar cells journal February 2012
Colloidal CdSe nanocrystals are inherently defective journal February 2021
Environmentally sensitive theory of electronic and optical transitions in atomically thin semiconductors journal January 2018
Substitutional doping in nanocrystal superlattices journal August 2015
Transformation of CdS Colloids: Sols, Gels, and Precipitates journal September 2001
Assembly of Linked Nanocrystal Colloids by Reversible Covalent Bonds journal November 2020
Porous Semiconducting Gels and Aerogels from Chalcogenide Clusters journal July 2007
Self-Organization of CdSe Nanocrystallites into Three-Dimensional Quantum Dot Superlattices journal November 1995
Semiconductor Nanocrystal Assemblies:  Experimental Pitfalls and a Simple Model of Particle−Particle Interaction journal May 2002
Nanocrystal Superlattices journal October 1998
Ab initio methods for the optical properties of CdSe clusters journal January 2008
Influence of dopants Cu, Ga, In, Hg on the electronic structure of CdnSn (n = 6, 15) clusters – a DFT study journal January 2016
Assembling Inorganic Nanocrystal Gels journal February 2022
Semiconductor Quantum Dots Are Efficient and Recyclable Photocatalysts for Aqueous PET-RAFT Polymerization journal December 2019
Intermediate band solar cells: Recent progress and future directions journal June 2015
Sol–Gel Methods for the Assembly of Metal Chalcogenide Quantum Dots journal September 2007
The Bethe–Salpeter Equation Formalism: From Physics to Chemistry journal August 2020
Electronic Structure Pseudopotential Calculations of Large (.apprx.1000 Atoms) Si Quantum Dots journal February 1994
First-principles thousand-atom quantum dot calculations journal April 2004
Electron–electron and electron‐hole interactions in small semiconductor crystallites: The size dependence of the lowest excited electronic state journal May 1984
Optimized norm-conserving Vanderbilt pseudopotentials journal August 2013
Q uantum ESPRESSO toward the exascale journal April 2020
Exciton states and optical transitions in colloidal CdS quantum dots: Shape and dielectric mismatch effects journal August 2002
The role of organic ligand shell structures in colloidal nanocrystal synthesis journal February 2022
Dielectric Constants of Silicon Quantum Dots journal August 1994
Size-dependent optical absorption of Cu2ZnSn(Se,S)4 quantum dot sensitizers from ab initio many-body methods journal October 2018
Self-Consistent Equations Including Exchange and Correlation Effects journal November 1965
New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem journal August 1965
Charge transport in semiconductors assembled from nanocrystal quantum dots journal June 2020
Electronic and optical gap renormalization in carbon nanotubes near a metallic surface journal September 2013
Quantum dots for next-generation photovoltaics journal November 2012
Size-Dependent Electron Injection from Excited CdSe Quantum Dots into TiO 2 Nanoparticles journal April 2007
Electronic excitations: density-functional versus many-body Green’s-function approaches journal June 2002
The role of surface passivation for efficient and photostable PbS quantum dot solar cells journal April 2016
Quenching of CdSe−ZnS Core−Shell Quantum Dot Luminescence by Water-Soluble Thiolated Ligands journal November 2007
The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy journal July 2019
Quantum Confinement and Optical Gaps in Si Nanocrystals journal September 1997
Modern Inorganic Aerogels journal September 2017
Semiconductor quantum dots: Technological progress and future challenges journal August 2021
Artificial atoms on semiconductor surfaces journal November 2010
Charging Effects in a CdSe Nanotetrapod journal December 2005
Defect States and Charge Transport in Quantum Dot Solids journal January 2017
Highly Effective Surface Passivation of PbSe Quantum Dots through Reaction with Molecular Chlorine journal November 2012
Preparation of a photo-degradation- resistant quantum dot–polymer composite plate for use in the fabrication of a high-stability white-light-emitting diode journal January 2013
Colloidal Nanoparticles for Intermediate Band Solar Cells journal June 2015
Exciton Modulation in Perylene-Based Molecular Crystals Upon Formation of a Metal-Organic Interface From Many-Body Perturbation Theory journal September 2021
Electron-hole excitations and optical spectra from first principles journal August 2000
BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures journal June 2012
Quantum size effect in semiconductor microcrystals journal December 1985
Excitonic Effects and Optical Properties of Passivated CdSe Clusters journal August 2006
Semiconductor Quantum Dots and Quantum Dot Arrays and Applications of Multiple Exciton Generation to Third-Generation Photovoltaic Solar Cells journal November 2010
Charge transport and localization in atomically coherent quantum dot solids journal February 2016
Optical Excitations in Cadmium Sulfide Nanoparticles journal July 2007
Surface passivation method for semiconductor nanostructures journal April 2005
The surface science of nanocrystals journal January 2016
Dark and Photo-Conductivity in Ordered Array of Nanocrystals journal October 2013
Hydroxylation of the surface of PbS nanocrystals passivated with oleic acid journal May 2014
Shape Effects on Electronic States of Nanocrystals journal October 2003
Prospects of Nanoscience with Nanocrystals journal January 2015
Strong Electronic Coupling in Two-Dimensional Assemblies of Colloidal PbSe Quantum Dots journal May 2009
Coulomb-hole summations and energies for G W calculations with limited number of empty orbitals: A modified static remainder approach journal April 2013
Size-Dependent Spectroscopy of InP Quantum Dots journal June 1997
Porous Semiconductor Chalcogenide Aerogels journal January 2005
Reversible Electrochemical Gelation of Metal Chalcogenide Quantum Dots journal June 2020
Self-Assembly of Colloidal Nanocrystals: From Intricate Structures to Functional Materials journal August 2016
Quasiparticle gaps and exciton Coulomb energies in Si nanoshells: First-principles calculations journal October 2009
Size dependence of exciton fine structure in CdSe quantum dots journal June 1996
Experimental Determination of the Extinction Coefficient of CdTe, CdSe, and CdS Nanocrystals journal July 2003
InP quantum dots: Electronic structure, surface effects, and the redshifted emission journal July 1997
Transforming energy using quantum dots journal January 2020
Optimization of Quantum Dot Thin Films using Electrohydrodynamic Jet Spraying for Solution-Processed Quantum Dot Light-Emitting Diodes journal September 2019
Size-Dependent Optical Properties of Colloidal PbS Quantum Dots journal September 2009
High-Temperature Luminescence Quenching of Colloidal Quantum Dots journal September 2012
Counterion-Mediated Ligand Exchange for PbS Colloidal Quantum Dot Superlattices journal October 2015
Structure and optical properties of (CdSxSe1−x)42 nanoclusters journal January 2014
Superfluorescence from lead halide perovskite quantum dot superlattices journal November 2018
Colloidal Quantum Dots as Photocatalysts for Triplet Excited State Reactions of Organic Molecules journal August 2020
Colloidal-quantum-dot photovoltaics using atomic-ligand passivation journal September 2011
Semiconductor crystallites: a class of large molecules journal June 1990
Photostability and Photodegradation Processes in Colloidal CsPbI 3 Perovskite Quantum Dots journal October 2018
Structure and phase behavior of polymer-linked colloidal gels journal September 2019
The Effects of Organisation, Embedding and Surfactants on the Properties of Cadmium Chalcogenide (CdS, CdSe and CdS/CdSe) Semiconductor Nanoparticles journal September 2005
Gap renormalization of molecular crystals from density-functional theory journal August 2013
Structural and Electronic Properties of Cadmium Sulfide Clusters journal March 2000
Effect of Dot Size on Exciton Binding Energy and Electron–Hole Recombination Probability in CdSe Quantum Dots journal September 2013
Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies journal October 1986
Quantum-Dot-Based (Aero)gels: Control of the Optical Properties journal July 2012
Optimization algorithm for the generation of ONCV pseudopotentials journal November 2015
Tuning the Optical Band Gap of Quantum Dot Assemblies by Varying Network Density journal June 2009
Electronic transport in films of colloidal CdSe nanocrystals journal August 2002
Nanoscale Forces and Their Uses in Self-Assembly journal July 2009
Colloidal Nanocrystal Gels from Thermodynamic Principles journal February 2021
Design Strategy of Quantum Dot Thin‐Film Solar Cells journal October 2020
Truncation of periodic image interactions for confined systems journal June 2006
Sol−Gel Processing of Semiconducting Metal Chalcogenide Xerogels:  Influence of Dimensionality on Quantum Confinement Effects in a Nanoparticle Network journal December 2005
Semiempirical GGA-type density functional constructed with a long-range dispersion correction journal January 2006
Self-interaction correction to density-functional approximations for many-electron systems journal May 1981
A Charge-Orbital Balance Picture of Doping in Colloidal Quantum Dot Solids journal August 2012
Chalcogels: Porous Metal−Chalcogenide Networks from Main-Group Metal Ions. Effect of Surface Polarizability on Selectivity in Gas Separation journal October 2010

Similar Records

Collective many-body van der Waals interactions in molecular systems
Journal Article · 2012 · Proceedings of the National Academy of Sciences of the United States of America · OSTI ID:1132743

Density functional theory strongly overestimates van der Waals type many-body interactions.
Journal Article · 2008 · Physical Review Letters · OSTI ID:1145517

Convergence of the many-body expansion of interaction potentials: From van der Waals to covalent and metallic systems
Journal Article · 2007 · Physical Review. A · OSTI ID:21011247