Related papers: Rethinking Charge Transport and Recombination in D…
In this paper we consider the effects of resonance and electron scattering on the escape of Lyman alpha photons during cosmological hydrogen recombination. We pay particular attention to the influence of atomic recoil, Doppler boosting and…
We develop a correlation-corrected transport theory in order to predict ionic and polymer transport properties of membrane nanopores in physical conditions where mean-field electrostatics breaks down. The experimentally observed low KCl…
Perovskite solar cells (PSCs) without a hole transport layer (HTL) offer a cost-effective and stable alternative to conventional architectures, utilizing only an absorber layer and an electron transport layer (ETL). This study presents a…
Understanding carrier dynamics in photoexcited metal-halide perovskites is key for optoelectronic devices such as solar cells (low carrier densities) and lasers (high carrier densities). Trapping processes at low carrier densities and…
Photon recycling is required for a solar cell to achieve an open-circuit voltage ($V_{OC}$) and power conversion efficiency (PCE) approaching the Shockley-Queisser theoretical limit. In metal halide perovskite solar cells, the achievable…
The mathematical modeling and numerical simulation of semiconductor-electrolyte systems play important roles in the design of high-performance semiconductor-liquid junction solar cells. In this work, we propose a macroscopic mathematical…
We demonstrate anisotropic photostriction in two-dimensional orthorhombic semiconductors using time-dependent density functional theory. By tracing the dynamics of photoexcited carriers, we establish a quantitative link between carrier…
One of the basic assumptions in organic field-effect transistors, the most fundamental device unit in organic electronics, is that charge transport occurs two-dimensionally in the first few molecular layers near the dielectric interface.…
We present a hybrid method based on a combination of quantum/classical molecular dynamics (MD) simulations and a mod el Hamiltonian approach to describe charge transport through bio-molecular wires with variable lengths in presence o f a…
We describe surface patterning strategies that permit high photon-collection efficiency together with high carrier-collection efficiency in an ultra-thin planar heterojunction organic photovoltaic cell. Optimized designs reach up to 50%…
The observed open circuit voltages in best performing solar cells are explained outside of the recombination paradigm, based on such factors as electrostatic screening, Meyer-Neldel effect, and lateral nonuniformities. The underlying…
We propose a dynamic mechanism for the reversible regulation of photosynthesis in varying light environments. We employ a three-level quantum model to take into account the correlations between charge donors and charge acceptors immediately…
We present a study of the photoluminescence (PL) properties of heavily Be delta-doped GaAs/AlAs multiple quantum wells measured at room and liquid nitrogen temperatures. Possible mechanisms for photocarriers recombination are discussed,…
Understanding charge separation dynamics in organic semiconductor blends is crucial for optimizing the performance of organic photovoltaic solar cells. In this study, we explored the optoelectronic properties and charge separation dynamics…
The mechanisms and efficiency of charge transport in lithium peroxide (Li2O2) are key factors in understanding the performance of non-aqueous Li-air batteries. Towards revealing these mechanisms, here we use first-principles calculations to…
Through the development of new non-fullerene electron acceptor (NFA) materials, such as Y6 and its molecular derivatives, the power conversion efficiencies of organic photovoltaics (OPVs) have now exceeded 19%. However, despite this rapid…
Photoluminescence (PL) is a ubiquitous proxy for material quality in optoelectronic devices, widely used for high-throughput materials discovery. However, we demonstrate that in the presence of charge-selective contacts, PL loses its…
Radiative transfer in absorbing-scattering media requires solving a transport equation across a spectral domain with 10^5 - 10^6 molecular absorption lines. Line-by-line (LBL) computation is prohibitively expensive, while existing…
A key challenge in the development of materials for the next generation of solar cells, sensors and transistors is linking macroscopic device performance to underlying microscopic properties. For years, fabrication of devices has been…
We investigate the impact of threading dislocations with an edge component (a or a+c-type) on carrier recombination and diffusion in GaN(0001) layers close to the surface as well as in the bulk. To this end, we utilize cathodoluminescence…