Multicrystalline informatics: a methodology to advance materials science by unraveling complex phenomena.

Multicrystalline materials play a crucial role in our society. However, their microstructure is complicated, and there is no universal approach to achieving high performance. Therefore, a methodology is necessary to answer the fundamental question of how we should design and create microstructures.

Free-Standing Electrode and Fixed Surface Tiny Electrode Implemented Triboelectric Nanogenerator with High Instantaneous Current.

Conventional triboelectric nanogenerators (TENGs) face challenges pertaining to low output current density at low working frequencies and high internal impedance. While strategies, such as surface modification to enhance surface charge density, permittivity regulation of materials, and circuit management, have partially mitigated these issues. However, they have also resulted in increased complexity in the fabrication process.

Multicrystalline Informatics Applied to Multicrystalline Silicon for Unraveling the Microscopic Root Cause of Dislocation Generation.

A comprehensive analysis of optical and photoluminescence images obtained from practical multicrystalline silicon wafers is conducted, utilizing various machine learning models for dislocation cluster region extraction, grain segmentation, and crystal orientation prediction. As a result, a realistic 3D model that includes the generation point of dislocation clusters is built. Finite element stress analysis on the 3D model coupled with crystal growth simulation reveals inhomogeneous and complex stress distribution and that dislocation clusters are frequently formed along the slip plane with the highest shear stress among twelve equivalents, concentrated along bending grain boundaries (GBs).

Hydrogenation of silicon-nanocrystals-embedded silicon oxide passivating contacts.

We investigate the effect of hydrogen passivation of dangling bonds in silicon oxide passivating contacts with embedded silicon nanocrystals (NAnocrystalline Transport path in Ultra-thin dielectrics for REinforced passivation contact, NATURE contact). We first investigated the differences in electrical properties of the samples after hydrogen gas annealing and hydrogen plasma treatment (HPT). The results show that the NATURE contact was efficiently passivated by hydrogen after HPT owing to the introduction of hydrogen radicals into the structure.

Fabrication of light trapping structures specialized for near-infrared light by nanoimprinting for the application to thin crystalline silicon solar cells.

Vehicle-integrated photovoltaics (VIPV) are gaining attention to realize a decarbonized society in the future, and the specifications for solar cells used in VIPV are predicated on a low cost, high efficiency, and the ability to be applied to curved surfaces. One way to meet these requirements is to make the silicon substrate thinner. However, thinner substrates result in lower near-infrared light absorption and lower efficiency.

Bayesian optimization of hydrogen plasma treatment in silicon quantum dot multilayer and application to solar cells.

Silicon quantum dot multilayer (Si-QDML) is a promising material for a light absorber of all silicon tandem solar cells due to tunable bandgap energy in a wide range depending on the silicon quantum dot (Si-QD) size, which is possible to overcome the Shockley-Queisser limit. Since solar cell performance is degenerated by carrier recombination through dangling bonds (DBs) in Si-QDML, hydrogen termination of DBs is crucial. Hydrogen plasma treatment (HPT) is one of the methods to introduce hydrogen into Si-QDML.

Epitaxial growth of SiGe films by annealing Al-Ge alloyed pastes on Si substrate.

A simple, low-cost, and non-vacuum epitaxial growth method to realize large-area semiconductors on crystalline silicon will become the game-changer for various applications. For example, we can expect the disruptive effect on the cost of large-scale III-V multi-junction solar cells if we could replace the high-cost germanium substrate with silicon-germanium (SiGe) on Si. For SiGe epitaxial growth, we attempted to develop a process using original Al-Ge pastes for screen printing and subsequent annealing.

Data-Driven Optimization and Experimental Validation for the Lab-Scale Mono-Like Silicon Ingot Growth by Directional Solidification.

The casting mono-like silicon (Si) grown by directional solidification (DS) is promising for high-efficiency solar cells. However, high dislocation clusters around the top region are still the practical drawbacks, which limit its competitiveness to the monocrystalline Si. To optimize the DS-Si process, we applied the framework, which integrates the growing experiments, transient global simulations, artificial neuron network (ANN) training, and genetic algorithms (GAs).

ZnGeO Passivating Interlayers for BaSi Thin-Film Solar Cells.

BaSi is a promising absorber material for next-generation thin-film solar cells (TFSCs). For high-efficiency TFSCs, a suitable interlayer should be found for every light absorber. However, such an interlayer has not been studied for BaSi.

Effect of the Niobium-Doped Titanium Oxide Thickness and Thermal Oxide Layer for Silicon Quantum Dot Solar Cells as a Dopant-Blocking Layer.

Silicon quantum dot (Si-QD) embedded in amorphous silicon oxide is used for p-i-n solar cell on quartz substrate as a photogeneration layer. To suppress diffusion of phosphorus from an n-type layer to a Si-QD photogeneration layer, niobium-doped titanium oxide (TiO:Nb) is adopted. Hydrofluoric acid treatment is carried out for a part of the samples to remove the thermal oxide layer in the interface of TiO:Nb/n-type layer.

A quantum-dot spin qubit with coherence limited by charge noise and fidelity higher than 99.9.

The isolation of qubits from noise sources, such as surrounding nuclear spins and spin-electric susceptibility , has enabled extensions of quantum coherence times in recent pivotal advances towards the concrete implementation of spin-based quantum computation. In fact, the possibility of achieving enhanced quantum coherence has been substantially doubted for nanostructures due to the characteristic high degree of background charge fluctuations . Still, a sizeable spin-electric coupling will be needed in realistic multiple-qubit systems to address single-spin and spin-spin manipulations .

Enhanced photocarrier generation in large-scale photonic nanostructures fabricated from vertically aligned quantum dots.

We demonstrate enhanced photocarrier generation using photonic nanostructures fabricated by a wet etching technique with vertically aligned quantum dots (QDs). Using photoluminescence excitation spectroscopy, we found that the photocarrier generation in Ge/Si QDs placed close to the surface is enhanced below the band gap energy of crystalline silicon. The enhancement is explained by light trapping owing to the photonic nanostructures.

Enhanced photocarrier generation in large-scale photonic nanostructures fabricated from vertically aligned quantum dots.

We demonstrate enhanced photocarrier generation using photonic nanostructures fabricated by a wet etching technique with vertically aligned quantum dots (QDs). Using photoluminescence excitation spectroscopy, we found that the photocarrier generation in Ge/Si QDs placed close to the surface is enhanced below the band gap energy of crystalline silicon. The enhancement is explained by light trapping owing to the photonic nanostructures.

Grazing-incidence small-angle X-ray scattering from Ge nanodots self-organized on Si(001) examined with soft X-rays.

Grazing-incidence small-angle X-ray scattering (GISAXS) measurements with soft X-rays have been applied to Ge nanodots capped with a Si layer. Spatially anisotropic distribution of nanodots resulted in strongly asymmetric GISAXS patterns in the qy direction in the soft X-ray region, which have not been observed with conventional hard X-rays. However, such apparent differences were explained by performing a GISAXS intensity calculation on the Ewald sphere, i.

Investigation of the open-circuit voltage in solar cells doped with quantum dots.

Quantum dots (QDs) have attracted much attention for use in photovoltaic applications because of their potential for overcoming the limits of conventional single-junction devices. One problem associated with solar cells using QDs is that the open-circuit voltage (V(oc)) always decreases with the addition of QDs with respect to the reference cell without QDs. Here, we report the investigation of current-voltage characteristics in Ge/Si QD solar cells in the temperature range from 100 to 300 K.

Generation of high photocurrent in three-dimensional silicon quantum dot superlattice fabricated by combining bio-template and neutral beam etching for quantum dot solar cells.

We fabricated a three-dimensional (3D) stacked Si nanodisk (Si-ND) array with a high aspect ratio and uniform size by using our advanced top-down technology consisting of bio-template and neutral beam etching processes. We found from conductive atomic microscope measurements that conductivity became higher as the arrangement was changed from a single Si-ND to two-dimensional (2D) and 3D arrays with the same matrix of SiC, i.e.

Effects of formation of mini-bands in two-dimensional array of silicon nanodisks with SiC interlayer for quantum dot solar cells.

A sub-10 nm, high-density, periodic silicon nanodisk (Si-ND) array with a SiC interlayer has been fabricated using a new top-down process that involves a 2D array of a bio-template etching mask and damage-free neutral beam etching. Optical and electrical measurements were carried out to clarify the formation of mini-bands due to wavefunction coupling. We found that the SiC interlayer could enhance the optical absorption coefficient in the layer of Si-NDs due to the stronger coupling of wavefunctions.

Silicon-based current-injected light emitting diodes with Ge self-assembled quantum dots embedded in photonic crystal nanocavities.

Room temperature light emission from Ge self-assembled quantum dots (QDs) embedded in L3-type photonic crystal (PhC) nanocavity is successfully demonstrated under current injection through a lateral PIN diode structure. The Ge QDs are grown on silicon-on-insulator (SOI) wafer by solid-source molecular beam epitaxy (SS-MBE), and the PIN diode is fabricated by selective ion implantation around the PhC cavity. Under an injected current larger than 0.

Simultaneous enhanced photon capture and carrier generation in Si solar cells using Ge quantum dot photonic nanocrystals.

We propose a novel solar cell structure with photonic nanocrystals coupled to quantum dots (QDs) for advanced management of photons and carriers. The photonic nanocrystals at the surface create an extra interaction between the photons and the QDs, which promotes light trapping. Photo-generated carriers can be efficiently transported by preparing vertically aligned QDs with electronic coupling.

Configuration and local elastic interaction of ferroelectric domains and misfit dislocation in PbTiO/SrTiO epitaxial thin films.

We have studied the strain field around the 90° domains and misfit dislocations in PbTiO/SrTiO (001) epitaxial thin films, at the nanoscale, using the geometric phase analysis (GPA) combined with high-resolution transmission electron microscopy (HRTEM) and high-angle annular dark field--scanning transmission electron microscopy (HAADF-STEM). The films typically contain a combination of mixed domains and misfit dislocations. The PbTiO layer was composed from the two types of the -domain (90° domain): a typical -mixed domain configuration where -domains are 20-30 nm wide and nano sized domains with a width of about 3 nm.

A grazing incidence small-angle x-ray scattering analysis on capped Ge nanodots in layer structures.

The grazing incidence small-angle x-ray scattering (GISAXS) intensity from buried Ge nanodots is examined both by GISAXS/reflectivity measurements and by simulations with distorted wave Born approximation (DWBA). The validity and the condition of using the Born approximation (BA) are discussed using simulations based on the layer structures modeled from a reflectivity analysis. As expected in the previous kinematic analysis, use of the BA is reasonable in determining the size and the shape of very small or thin nanodots.

Room-temperature electroluminescence from Si microdisks with Ge quantum dots.

A current-injected silicon-based light-emitting device was fabricated on silicon-on-insulator (SOI) by embedding Ge self-assembled quantum dots into a silicon microdisk resonator with p-i-n junction for current-injection. Room-temperature resonant electroluminescence (EL) from Ge self-assembled quantum dots in the microdisk was successfully observed under current injection, and observed EL peaks corresponding to the whispering gallery modes (WGMs) supported by the microdisk resonator were well identified by means of numerical simulations.