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This paper presents a multiscale approach to evaluate perovskite solar cell performance which determines material properties at the atomistic scale with first-principles calculations, and applies them in macro-scale device models. This work…
Perovskite photovoltaics (PV) have achieved rapid development in the past decade in terms of power conversion efficiency of small-area lab-scale devices; however, successful commercialization still requires further development of low-cost,…
We developed a high-throughput screening scheme to acquire candidate coating materials for hybrid perovskites. From more than 1.8 million entries of an inorganic compound database, we collected 93 binary and ternary materials with promising…
The material class of hybrid organic-inorganic perovskites has risen rapidly from a virtually unknown material in photovoltaic applications a short 7 years ago into a ~20% efficient thin-film solar cell material. As promising as this class…
The ability to extract material parameters of perovskite from quantitative experimental analysis is essential for rational design of photovoltaic and optoelectronic applications. However, the difficulty of this analysis increases…
Surface adsorption is one of the fundamental processes in numerous fields, including catalysis, environment, energy and medicine. The development of an adsorption model which provides an effective prediction of binding energy in minutes has…
The buried interface between the electron transport layer and the perovskite layer suffers from severe interface defects and imperfect energy level alignment. To address this issue, this study employs a multifunctional organic molecule,…
Perovskite solar cells (PSCs) without a hole transport layer (HTL) offer a cost-effective and stable alternative to conventional architectures, utilizing only an absorber layer and an electron transport layer (ETL). This study presents a…
Accelerating the experimental cycle for new materials development is vital for addressing the grand energy challenges of the 21st century. We fabricate and characterize 75 unique halide perovskite-inspired solution-based thin-film materials…
Electric fields arising from the distribution of charge in metal halide perovskite solar cells are critical for understanding the many weird and wonderful optoelectronic properties displayed by these devices. Mobile ionic defects are…
Perovskite solar cells employing self assembled monolayers such as Me-4PACz as hole transport layer has been reported to demonstrate high device efficiency. However, the poor perovskite wetting on the Me-4PACz caused by poor perovskite ink…
Among emerging energy materials, halide and chalcogenide perovskites have garnered significant attention over the last decade owing to the abundance of their constituent species, low manufacturing costs, and their highly tunable…
Lead-free halide double perovskites are promising alternatives to Pb-based semiconductors, but their discovery is challenging because structural formability, thermodynamic stability, band-gap placement, optical-transition strength,…
Solution-processed, lead halide-based perovskite solar cells have overcome important challenges over the recent years, offering low-cost and high solar power conversion efficiencies. However, they still undergo unoptimized light collection…
Perovskite solar cells are promising candidates for next-generation photovoltaics. However, their performance as multi-scale devices is determined by complex interactions between their constituent layers. This creates a vast combinatorial…
Fundamental working mechanisms of perovskite solar cells remain an elusive topic of research. Impedance Spectroscopy (IS) application to perovskite-based devices generates uncommon features and misleading outputs, mainly due to the lack of…
The computational prediction of the structure and stability of hybrid organic-inorganic interfaces provides important insights into the measurable properties of electronic thin film devices, coatings, and catalyst surfaces and plays an…
A modified detailed balance model is built to understand and quantify efficiency loss of perovskite solar cells. The modified model captures the light-absorption dependent short-circuit current, contact and transport-layer modified carrier…
Fueled by the widespread adoption of Machine Learning (ML) and the high-throughput screening of materials, the data-centric approach to materials design has asserted itself as a robust and powerful tool for the in-silico prediction of…
Despite the youthfulness of hybrid halide perovskite solar cells, their efficiencies are currently comparable to commercial silicon and have surpassed quantum-dots solar cells. Yet, the scalability of these devices is a challenge due to…