Angus Gray-Weale

Previously, we proposed that the polarization and capacitive charge in \ce{CH3NH3PbI3} screens the external electric field that hinders charge transport. We argue here that this screening effect is in significant part responsible for the power conversion characteristics and hysteresis in \ce{CH3NH3PbI3} photovoltaic cells. In this paper, we implement capacitive charge and polarization charge into the numerical model that we have developed for perovskite solar cells. Fields induced by these two charges screen the applied hindering field, promote charge transport, and improve solar cell's performance, especially in solar cells with short diffusion lengths. This is the reason why perovskite solar cells made from simple fabrication methods can achieve high performance. More importantly, with relaxations of capacitive charge and polarization charge, we quantitatively reproduce experimental "anomalous" hysteresis J-V curves. This reveals that both polarization relaxation and ions relaxation could contribute to anomalous hysteresis in perovskite solar cells.

The Hofmeister effect describes how different ions make solutes more or less hydrophobic. The effect is thought to occur due to structural changes in the solvent induced by the ion's presence, particularly in water. In this study, the structural changes in water due to the presence of ions are investigated by molecular dynamics simulations of various monatomic ions in the SPC/E water model. Structural analyses reveal specific orientations of solvating waters around each of the ions studied. Using a new method, these orientations are quantified by a set of pair correlation functions that describe dipole–ion correlations in structure. These correlations are shown to contribute to the potential of mean force between waters and the ion of interest, and therefore to the free energy of the system. The magnitude of this free energy is found to result in a Hofmeister series for the various ions studied, therefore demonstrating a Hofmeister effect with respect to water's structure that is quantified by pair correlation functions. Most crucially, the pair correlations that lead to this Hofmeister effect also contribute to the hydrophobic effect (the entropy of hydrophobic solvation) [Liu et al., J. Chem. Phys., 2015, 142, 114117], and those which dominate the hydrophobic effect are modulated by an ion's presence, therefore demonstrating a mechanistic link between the two effects.

Based on the continuity equations and Poisson's equation, we developed a numerical model for perovskite solar cells. Due to different working mechanisms, the model for perovskite solar cells differs from that of silicon solar cells and Dye Sensitized Solar Cells. The output voltage and current are calculated differently, and in a manner suited in particular to perovskite organohalides. We report a test of our equations against experiment with good agreement. Using this numerical model, it was found that performances of solar cells increase with charge carrier's lifetimes, mobilities and diffusion lengths. The open circuit voltage (V_oc) of a solar cell is dependent on light intensities, and charge carrier lifetimes. Diffusion length and light intensity determine the saturated current (J_sc). Additionally, three possible guidelines for the design and fabrication of perovskite solar cells are suggested by our calculations. Lastly, we argue that concentrator perovskite solar cells are promising.

Glycogen is a vital highly branched polymer of glucose that is essential for blood glucose homeostasis. In this article, the structure of liver glycogen from mice is investigated with respect to size distributions, degradation kinetics, and branching structure, complemented by a comparison of normal and diabetic liver glycogen. This is done to screen for differences that may result from disease. Glycogen α-particle (diameter ∼ 150 nm) and β-particle (diameter ∼ 25 nm) size distributions are reported, along with in vitro γ-amylase degradation experiments, and a small angle X-ray scattering analysis of mouse β-particles. Type 2 diabetic liver glycogen upon extraction was found to be present as large loosely bound, aggregates, not present in normal livers. Liver glycogen was found to aggregate in vitro over a period of 20 h, and particle size is shown to be related to rate of glucose release, allowing a structure-function relationship to be inferred for the tissue specific distribution of particle types. Application of branching theories to small angle X-ray scattering data for mouse β-particles revealed these particles to be randomly branched polymers, not fractal polymers. Together, this article shows that type 2 diabetic liver glycogen is present as large aggregates in mice, which may contribute to the inflexibility of interconversion between glucose and glycogen in type 2 diabetes, and further that glycogen particles are randomly branched with a size that is related to the rate of glucose release.

The methylammonium ions in CH₃NH₃PbI₃ prefer to rotate collectively, and to be parallel to their neighbours or to be polarised by working field. The polarised charges in CH₃NH₃PbI₃ screens the hindering electric field, improves the power conversion characteristics of CH₃NH₃PbI₃ photovoltaic cells. This polarised charges are also in significant part responsible for the normal and anomalous hysteresis.