Ab initio nonadiabatic molecular dynamics investigations on the excited carriers in condensed matter systems
The ultrafast dynamics of photoexcited charge carriers in condensed matter systems play an
important role in optoelectronics and solar energy conversion. Yet it is challenging to …
important role in optoelectronics and solar energy conversion. Yet it is challenging to …
Quantum mechanical studies of large metal, metal oxide, and metal chalcogenide nanoparticles and clusters
A Fernando, KLDM Weerawardene… - Chemical …, 2015 - ACS Publications
Metal, metal oxide, and metal chalcogenide materials have a wide variety of applications.
For example, many metal clusters and nanoparticles are used as catalysts for reactions …
For example, many metal clusters and nanoparticles are used as catalysts for reactions …
Quantum zeno effect rationalizes the phonon bottleneck in semiconductor quantum dots
Quantum confinement can dramatically slow down electron-phonon relaxation in
nanoclusters. Known as the phonon bottleneck, the effect remains elusive. Using a state-of …
nanoclusters. Known as the phonon bottleneck, the effect remains elusive. Using a state-of …
Light-driven and phonon-assisted dynamics in organic and semiconductor nanostructures
Rapid advances in chemical synthesis and fabrication techniques have led to a boost in
manufacturing and design of novel nanostructured materials that exhibit unique and often …
manufacturing and design of novel nanostructured materials that exhibit unique and often …
Soft surfaces of nanomaterials enable strong phonon interactions
Phonons and their interactions with other phonons, electrons or photons drive energy gain,
loss and transport in materials. Although the phonon density of states has been measured …
loss and transport in materials. Although the phonon density of states has been measured …
Surface chemistry of semiconducting quantum dots: Theoretical perspectives
Conspectus Colloidal quantum dots (QDs) are near-ideal nanomaterials for energy
conversion and lighting technologies. However, their photophysics exhibits supreme …
conversion and lighting technologies. However, their photophysics exhibits supreme …
Surface ligands increase photoexcitation relaxation rates in CdSe quantum dots
Understanding the pathways of hot exciton relaxation in photoexcited semiconductor
nanocrystals, also called quantum dots (QDs), is of paramount importance in multiple …
nanocrystals, also called quantum dots (QDs), is of paramount importance in multiple …
Predicting energy conversion efficiency of dye solar cells from first principles
In this work we target on accurately predicting energy conversion efficiency of dye-sensitized
solar cells (DSC) using parameter-free first principles simulations. We present a set of …
solar cells (DSC) using parameter-free first principles simulations. We present a set of …
Complex plasmon-exciton dynamics revealed through quantum dot light emission in a nanocavity
Plasmonic cavities can confine electromagnetic radiation to deep sub-wavelength regimes.
This facilitates strong coupling phenomena to be observed at the limit of individual quantum …
This facilitates strong coupling phenomena to be observed at the limit of individual quantum …
Dopants Control Electron–Hole Recombination at Perovskite–TiO2 Interfaces: Ab Initio Time-Domain Study
R Long, OV Prezhdo - Acs Nano, 2015 - ACS Publications
TiO2 sensitized with organohalide perovskites gives rise to solar-to-electricity conversion
efficiencies reaching close to 20%. Nonradiative electron–hole recombination across the …
efficiencies reaching close to 20%. Nonradiative electron–hole recombination across the …