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To further improve Lithium-ion batteries (LiBs), a profound understanding of complex battery processes is crucial. Physical models offer understanding but are difficult to validate and parameterize. Therefore, automated machine-learning…
Parameter estimation procedures provide valuable guidance in the understanding and improvement of organic solar cells and other devices. They often rely on one-dimensional models, but in the case of bulk-heterojunction (BHJ) designs, it is…
Halide vacancies are the dominant point defects in perovskites with VCl identified as a detrimental trap for the optoelectronic performance of CsPbCl3, with applications ranging from photodetectors to solar cells. Understanding these…
Despite the tremendous interest in halide perovskites in solar cells, the reason that the all-inorganic perovskite CsPbI$_3$ is unstable at room temperature remains mysterious. Here single-crystal X-ray diffraction and powder pair…
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…
Optimizing the interfaces in perovskite solar cells (PSCs) is essential for enhancing their performance, improving their stability, and making them commercially viable for large-scale deployment in solar energy harvesting applications.…
Solar cells based on hybrid perovskites have shown high efficiency while possessing simple processing methods. To gain a fundamental understanding of their properties on an atomic level, we investigate single crystals of CH3NH3PbI3 with a…
Increasing photovoltaic conversion efficiency, or PCE, has proven to be a critical factor in the transition to renewable energy. There exist strong interdependencies between the perovskite crystals and multijunction architectures within…
Nanowire field-effect sensors have recently been developed for label-free detection of biomolecules. In this work, we introduce a computational technique based on Bayesian estimation to determine the physical parameters of the sensor and,…
The ability to reduce energy loss at semiconductor surfaces through passivation or surface field engineering has become an essential step in the manufacturing of efficient photovoltaic (PV) and optoelectronic devices. Similarly, surface…
While the performance enhancement witnessed in the field of perovskite solar cells over the recent years has been impressive, it is now evident that further optimization beyond the existing literature would require detailed analysis of…
Exposure to environmental factors is generally expected to cause degradation in perovskite films and solar cells. Herein, we show that films with certain defect profiles can display the opposite effect, healing upon exposure to oxygen under…
Many real-world systems modeled using partial differential equations (PDEs) involve unknown parameters that must be estimated from limited, noisy system observations. While typically assumed to be constants, some of these unobserved…
Perovskite solar cells (PSCs) have shown remarkably improved power-conversion efficiency of around 25%. However, their working principle remains arguable and the stability issue has not been solved yet. In this report, we revealed that the…
The competition between corner, edge and face-sharing octahedral networks is a cause of phase inhomogeneity in metal halide perovskite thin-films. Here we probe the charged iodine vacancy distribution and transport at the junction between…
Although perovskite solar cells have demonstrated impressive efficiencies in research labs (above 23%), there is a need of experimental procedures that allow their fabrication at ambient conditions, which would decrease substantially…
Numerical modeling of proton exchange membrane fuel cells is at the verge of becoming predictive. A crucial requisite for this, though, is that material properties of the membrane-electrode assembly and their functional dependence on the…
Here, we report a comprehensive modeling framework to unravel the efficiency roll-off in Perovskite light emitting diodes (PeLEDs). Our model self-consistently accounts for a positive feedback mechanism which involves diverse phenomena like…
Parameter estimation is of foundational importance for various model-based battery management tasks, including charging control, state-of-charge estimation and aging assessment. However, it remains a challenging issue as the existing…
Rational design of interface passivators for perovskite solar cells is hindered by the entanglement of intrinsic molecular efficacy with extrinsic platform-dependent performance - a confounding factor that obscures true chemical advances.…