相关论文: Describing transport in defected nanoparticle soli…

We simulated electron transport across a binary nanocrystal solid (BNS) of PbSe NCs with diameters of 6.5nm and 5.1nm. We used our Hierarchical Nanoparticle Transport Simulator HINTS to model the transport in these BNSs. The mobility…

Perovskite solar cells (PSCs) have emerged as a promising photovoltaic technology, already achieving efficiencies surpassing 25%. However, effects such as hysteresis are commonly observed due to the interplay of ionic and electronic…

We show that Nanoparticle (NP) solids are an exciting platform to seek new insights into the disordered Mott-Hubbard physics. We developed a "Hierarchical Nanoparticle Transport Simulator" (HINTS), which builds from localized states to…

Hierarchically nanostructured materials, where disorder is introduced in various length scales (at the atomic scale, the nanoscale, and the mesoscale) is one of the most promising directions to achieve extremely low thermal conductivities…

Nanoelectronics requires the development of a priori technology evaluation for materials and device design that takes into account quantum physical effects and the explicit chemical nature at the atomic scale. Here, we present a…

Next-generation low-cost semiconductors such as halide perovskites exhibit optoelectronic properties dominated by nanoscale variations in their structure, composition and photophysics. While microscopy provides a proxy for ultimate device…

A simulation framework that couples atomistic electronic structures to Boltzmann transport formalism is developed and applied to calculate the transport characteristics of thin silicon nanowires (NWs) up to 12nm in diameter. The…

The potential of semiconductors assembled from nanocrystals (NC semiconductors) has been demonstrated for a broad array of electronic and optoelectronic devices, including transistors, light emitting diodes, solar cells, photodetectors,…

In optoelectronic applications, metal halide perovskites (MHPs) are compelling materials because of their highly tuneable and intensely competitive optical properties. Colloidal synthesis enables the controlled formation of various…

Using a representative translational dimer model, high throughput calculations are implemented for fast screening of a total of 74 diacenaphtho-extended heterocycle (DAH) derivatives as hole transport layer (HTL) materials in perovskite…

Lead-free all-inorganic halide perovskite solar cells (PSCs) have emerged as a promising alternative to toxic lead-based solar cells and organic solar cells, which have limited stability. This work explores such a PSC with sodium tin…

Two-dimensional organic-inorganic hybrid perovskites (2D HOIPs) have been widely used for various optoelectronics owing to the excellent photoelectric properties. Recently, a great deal of studies have focused on engineering the organic…

Defects trap photocarriers and hinder solar water splitting. The nanoscale photocarrier transport, trapping, and recombination mechanisms are usually inferred from ensemble-averaged measurements and remain elusive. Because an individual…

Due to recent advances, silicon solar cells are rapidly approaching the Shockley-Queisser limit of 33% efficiency. Quantum Dot (QD) solar cells have the potential to surpass this limit and enable a new generation of photovoltaic…

Thermoelectrics are a promising class of materials for renewable energy owing to their capability to generate electricity from waste heat, with their performance being governed by a competition between charge and thermal transport. A…

We study charge transport in a monolayer molybdenum disulfide nanoflake over a wide range of carrier density, temperature, and electric bias. We find that the transport is best described by a percolating picture in which the disorder breaks…

Electrical transients enabled by optical excitation and electric detection provide a distinctive opportunity to study the charge transport, recombination and even the hysteresis of a solar cell in a much wider time window ranging from…

We present a new semi-empirical model for calculating electron transport in atomic-scale devices. The model is an extension of the Extended H\"uckel method with a self-consistent Hartree potential. This potential models the effect of an…

Transition-metal dichalcogenides (TMDCs) are important class of two-dimensional (2D) layered materials for electronic and optoelectronic applications, due to their ultimate body thickness, sizable and tunable bandgap, and decent theoretical…

We use an established discrete element method (DEM) Reynolds-averaged Navier--Stokes (RANS)-based numerical model to simulate non-suspended sediment transport across conditions encompassing almost seven orders of magnitude in the…