Effects of thermal annealing on the distribution of boron and phosphorus in p-i-n structured silicon nanocrystals embedded in silicon dioxide.

Thermal annealing temperature and time dictate the microstructure of semiconductor materials such as silicon nanocrystals (Si NCs). Herein, atom probe tomography (APT) and density functional theory (DFT) calculations are used to understand the thermal annealing temperature effects on Si NCs grown in a SiO2matrix and the distribution behaviour of boron (B) and phosphorus (P) dopant atoms. The APT results demonstrate that raising the annealing temperature promotes growth and increased P concentration of the Si NCs. The data also shows that the thermal annealing does not promote the incorporation of B atoms into Si NCs. Instead, B atoms tend to locate at the interface between the Si NCs and SiO2matrix. The DFT calculations support the APT data and reveal that oxygen vacancies regulate Si NC growth and dopant distribution. This study provides the detailed microstructure of p-type, intrinsic, and n-type Si NCs with changing annealing temperature and highlights how B and P dopants preferentially locate with respect to the Si NCs embedded in the SiO2matrix with the aid of oxygen vacancies. These findings will be useful towards future optoelectronic applications.

Three-dimensional imaging for precise structural control of Si quantum dot networks for all-Si solar cells.

All-Si tandem solar cells based on Si quantum dots (QDs) are a promising approach to future high-performance, thin film solar cells using abundant, stable and non-toxic materials. An important prerequisite to achieve a high conversion efficiency in such cells is the ability to control the geometry of the Si QD network. This includes the ability to control both, the size and arrangement of Si QDs embedded in a higher bandgap matrix. Using plasmon tomography we show the size, shape and density of Si QDs, that form in Si rich oxide (SRO)/SiO2 multilayers upon annealing, can be controlled by varying the SRO stoichiometry. Smaller, more spherical QDs of higher densities are obtained at lower Si concentrations. In richer SRO layers ellipsoidal QDs tend to form. Using electronic structure calculations within the effective mass approximation we show that ellipsoidal QDs give rise to reduced inter-QD coupling in the layer. Efficient carrier transport via mini-bands is in this case more likely across the multilayers provided the SiO2 spacer layer is thin enough to allow coupling in the vertical direction.

Si solid-state quantum dot-based materials for tandem solar cells.

The concept of third-generation photovoltaics is to significantly increase device efficiencies whilst still using thin-film processes and abundant non-toxic materials. A strong potential approach is to fabricate tandem cells using thin-film deposition that can optimise collection of energy in a series of cells with decreasing band gap stacked on top of each other. Quantum dot materials, in which Si quantum dots (QDs) are embedded in a dielectric matrix, offer the potential to tune the effective band gap, through quantum confinement, and allow fabrication of optimised tandem solar cell devices in one growth run in a thin-film process. Such cells can be fabricated by sputtering of thin layers of silicon rich oxide sandwiched between a stoichiometric oxide that on annealing crystallise to form Si QDs of uniform and controllable size. For approximately 2-nm diameter QDs, these result in an effective band gap of 1.8 eV. Introduction of phosphorous or boron during the growth of the multilayers results in doping and a rectifying junction, which demonstrates photovoltaic behaviour with an open circuit voltage (VOC) of almost 500 mV. However, the doping behaviour of P and B in these QD materials is not well understood. A modified modulation doping model for the doping mechanisms in these materials is discussed which relies on doping of a sub-oxide region around the Si QDs.

Silicon filaments in silicon oxide for next-generation photovoltaics.

Nanometer wide silicon filaments embedded in an amorphous silicon oxide matrix are grown at low temperatures over a large area. The optical and electrical properties of these mixed-phase nanomaterials can be tuned independently, allowing for advanced light management in high efficiency thin-film silicon solar cells and for band-gap tuning via quantum confinement in third-generation photovoltaics.

Optical characterisation of silicon nanocrystals embedded in SiO2/Si3N4 hybrid matrix for third generation photovoltaics.

Silicon nanocrystals with an average size of approximately 4 nm dispersed in SiO2/Si3N4 hybrid matrix have been synthesised by magnetron sputtering followed by a high-temperature anneal. To gain understanding of the photon absorption and emission mechanisms of this material, several samples are characterised optically via spectroscopy and photoluminescence measurements. The values of optical band gap are extracted from interference-minimised absorption and luminescence spectra. Measurement results suggest that these nanocrystals exhibit transitions of both direct and indirect types. Possible mechanisms of absorption and emission as well as an estimation of exciton binding energy are also discussed.

Impacts of Post-metallisation Processes on the Electrical and Photovoltaic Properties of Si Quantum Dot Solar Cells.

As an important step towards the realisation of silicon-based tandem solar cells using silicon quantum dots embedded in a silicon dioxide (SiO(2)) matrix, single-junction silicon quantum dot (Si QD) solar cells on quartz substrates have been fabricated. The total thickness of the solar cell material is 420 nm. The cells contain 4 nm diameter Si quantum dots. The impacts of post-metallisation treatments such as phosphoric acid (H(3)PO(4)) etching, nitrogen (N(2)) gas anneal and forming gas (Ar: H(2)) anneal on the cells' electrical and photovoltaic properties are investigated. The Si QD solar cells studied in this work have achieved an open circuit voltage of 410 mV after various processes. Parameters extracted from dark I-V, light I-V and circular transfer length measurement (CTLM) suggest limiting mechanism in the Si QD solar cell operation and possible approaches for further improvement.