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Nanoscale, ISSN 2040-3364, 02/2015, Volume 7, Issue 8, pp. 3737 - 3744
Exponential blinking statistics was reported in oxidized Si nanoparticles and the switching mechanism was attributed to the activation and deactivation of... 
Stresses | Nanoparticles | Mathematical analysis | Surface chemistry | Charge | Silicon | Statistics | Blinking | Defects
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 07/2017, Volume 13, Issue 7, p. 3318
We analyze the performance of the recently proposed screened exchange constant functional (SX) (Brawand et al. Phys. Rev. X 2016, 6, 041002) on the GW100 test... 
Perturbation theory | Functionals | Mathematical analysis | Consistency | Eigenvalues | Ionization potentials | Hybrid systems | Wave functions | Molecular chains
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 06/2017, Volume 13, Issue 6, p. 2581
The in silico design of novel complex materials for energy conversion requires accurate, ab initio simulation of charge transport. In this work, we present an... 
Parameters | Molecular structure | Computer simulation | Crystals | Charge transport | Materials selection | Charge materials | Molecular chains | Charge simulation | Copolymers | Robustness (mathematics) | Energy conversion | Dependence | Density functional theory | Nanostructured materials
Journal Article
Journal of Physical Chemistry Letters, ISSN 1948-7185, 06/2018, Volume 9, Issue 12
We studied the optical absorption enhancement in colloidal suspensions of PbS quantum dots (QD) upon ligand exchange from oleate to a series of cinnamate... 
Journal Article
ISSN 2040-3364, 2/2015, Volume 7, Issue 8, pp. 3737 - 3744
Exponential blinking statistics was reported in oxidized Si nanoparticles and the switching mechanism was attributed to the activation and deactivation of... 
Journal Article
Advanced Optical Materials, ISSN 2195-1071, 01/2018, Volume 6, Issue 5
Organolead halide perovskites convert optical excitations to charge carriers with remarkable efficiency in optoelectronic devices. Previous research... 
polaron formation | bulk carrier dynamics | organolead halide perovskites | transient absorption
Journal Article
Chemistry of Materials, ISSN 0897-4756, 03/2017, Volume 29, Issue 6, pp. 2485 - 2493
Journal Article
Nanoscale, ISSN 2040-3364, 02/2015, Volume 7, Issue 8, pp. 3737 - 3744
Exponential blinking statistics was reported in oxidized Si nanoparticles and the switching mechanism was attributed to the activation and deactivation of... 
RECOMBINATION | DEFECTS | ELECTRON | PHYSICS, APPLIED | PHOTOLUMINESCENCE | STATISTICS | MATERIALS SCIENCE, MULTIDISCIPLINARY | NANOSCIENCE & NANOTECHNOLOGY | CENTERS | CHEMISTRY, MULTIDISCIPLINARY | FLUORESCENCE INTERMITTENCY | SELF-ORGANIZED CRITICALITY | SILICON NANOCRYSTALS | SI/SIO2 INTERFACE
Journal Article
Physical Review X, ISSN 2160-3308, 2016, Volume 6, Issue 4, p. 041002
The accurate prediction of electronic and optical properties of molecules and solids is a persistent challenge for methods based on density functional theory.... 
DENSITY FUNCTIONALS | PERTURBATION-THEORY | NANOPARTICLES | QUANTUM-CHEMISTRY | APPROXIMATION | PHYSICS, MULTIDISCIPLINARY | GREENS-FUNCTION | EXACT EXCHANGE | 1ST PRINCIPLES | ELECTRONIC EXCITATIONS | AB-INITIO CALCULATION | ATOMIC AND MOLECULAR PHYSICS
Journal Article
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 06/2017, Volume 13, Issue 6, pp. 2581 - 2590
The in silico design of novel complex materials for energy conversion requires accurate, ab initio simulation of charge transport. In this work, we present an... 
HOPPING MODELS | STATES | APPROXIMATION | TRANSFER RATES | QUANTUM-DOT SOLIDS | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY | CHEMISTRY, PHYSICAL | COUPLINGS | ORGANIC SEMICONDUCTORS | ELECTRON-TRANSFER REACTIONS | MATERIALS SCIENCE
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 07/2017, Volume 13, Issue 7, pp. 3318 - 3325
We analyze the performance of the recently proposed screened exchange constant functional (SX) (Brawand et al. Phys. Rev. X 2016, 6, 041002 ) on the GW100 test... 
DENSITY FUNCTIONALS | GW100 | HOLE | AG-2 | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CU-2 | CHEMISTRY, PHYSICAL | EXCHANGE | 1ST PRINCIPLES | ELECTRONIC EXCITATIONS | PHOTOELECTRON-SPECTROSCOPY | MOLECULES | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Journal Article
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