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 …
Nonadiabatic charge dynamics in novel solar cell materials
R Long, OV Prezhdo, W Fang - Wiley Interdisciplinary Reviews …, 2017 - Wiley Online Library
The review describes recent research into the nonequilibrium phenomena in nanoscale
materials, with focus on charge separation and recombination, that form the basis for …
materials, with focus on charge separation and recombination, that form the basis for …
Elimination of charge recombination centers in metal halide perovskites by strain
L Qiao, WH Fang, R Long… - Journal of the American …, 2021 - ACS Publications
Metal halide perovskites exhibit enhanced photoluminescence and long-lived carriers in
experiments under strain. Using ab initio nonadiabatic molecular dynamics, we demonstrate …
experiments under strain. Using ab initio nonadiabatic molecular dynamics, we demonstrate …
Extending carrier lifetimes in lead halide perovskites with alkali metals by passivating and eliminating halide interstitial defects
Defects, such as halide interstitials, act as charge recombination centers, induce
degradation of halide perovskites, and create major obstacles to applications of these …
degradation of halide perovskites, and create major obstacles to applications of these …
Control of charge recombination in perovskites by oxidation state of halide vacancy
Advances in perovskite solar cells require development of means to control and eliminate
the nonradiative charge recombination pathway. Using ab initio nonadiabatic molecular …
the nonradiative charge recombination pathway. Using ab initio nonadiabatic molecular …
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 …
Instantaneous Generation of Charge-Separated State on TiO2 Surface Sensitized with Plasmonic Nanoparticles
R Long, OV Prezhdo - Journal of the American Chemical Society, 2014 - ACS Publications
Photoexcitation of the plasmon band in metallic nanoparticles adsorbed on a TiO2 surface
initiates many important photovoltaic and photocatalytic processes. The traditional view on …
initiates many important photovoltaic and photocatalytic processes. The traditional view on …
Control of Charge Carriers Trap** and Relaxation in Hematite by Oxygen Vacancy Charge: Ab Initio Non-adiabatic Molecular Dynamics
Ultrafast charge recombination in hematite (α-Fe2O3) severely limits its applications in solar
energy conversion and utilization, for instance, in photoelectrochemical water splitting. We …
energy conversion and utilization, for instance, in photoelectrochemical water splitting. We …
Persistent electronic coherence despite rapid loss of electron–nuclear correlation
Long-lived coherences of excited states are notable for their positive effect on energy
conversion mechanisms and efficiencies in photosynthetic complexes. Rational engineering …
conversion mechanisms and efficiencies in photosynthetic complexes. Rational engineering …
Charge Separation and Recombination in Two-Dimensional MoS2/WS2: Time-Domain ab Initio Modeling
With applications in high performance electronics, photovoltaics and catalysis, two-
dimensional transition metal dichalcogenides (TMDs) attract strong attention. Isolated TMDs …
dimensional transition metal dichalcogenides (TMDs) attract strong attention. Isolated TMDs …