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At least 55 records · Page 3

Mechanical and Ionic Characterization for Organic Semiconductor–Incorporated Perovskites for Stable 2D/3D Heterostructure Perovskite Solar Cells

Hybrid metal halide perovskite (MHP) materials, while being promising for photovoltaic technology, also encounter challenges related to material stability. Combining 2D MHPs with 3D MHPs offers a viable solution, yet there is a gap in the understanding of the stability among various 2D materials. The mechanical, ionic, and environmental stability of various 2D MHP ligands are reported, and an improvement with the use of a quater-thiophene-based organic cation (4TmI) that forms an organic-semiconductor incorporated MHP structure is demonstrated. It is shown that the best balance of mechanical robustness, environmental stability, ion activation energy, and reduced mobile ion concentration under accelerated aging is achieved with the usage of 4TmI. It is believed that by addressing mechanical and ion-based degradation modes using this built-in barrier concept with a material system that also shows improvements in charge extraction and device performance, MHP solar devices can be designed for both reliability and efficiency.

14 SOLAR ENERGY↗

Flexible Perovskite-Perovskite PV for Mobile Power Applications (Final Technical Report)

This is the final report for the referenced TCF award which ran from Oct. 2019 through Jan. 2024 in conjunction with the industry partner Swift Solar. The long duration of the program was due to several factors including the pandemic and a technical work stoppage due to changes in the scope. Additionally, Swift’s business focus shifted during the course of the program. As a result of these factors, this program underwent two distinct modifications that dramatically changed the work scope. The following report is organized into three separate sections, each of which addresses a distinct work scope. Those scope changes, what necessitated them, and any new tasks/milestones are given, briefly, at the top of each section. The work performed was research on the hybrid halide perovskites (HHP), both the absorber material itself as well as other material layers that are required in a full device stack. At the start of the period of performance, there were two distinct challenges that we sought to address: (1) a wide band gap absorber (>1.6 eV), and (2) a recombination layer for tandem devices that provided good sequestration of the individual cell absorber materials in their respective device layers. NREL had previously published, and patented, advancements in both of these areas and they were the focus of much of the work throughout the program.

14 SOLAR ENERGY↗

Hybrid and Inorganic Vacancy-Ordered Double Perovskites A 2 WCl 6

We report hybrid and all-inorganic, vacancy-ordered double perovskites of d 2 W 4+ with the formula A 2 WCl 6 (A = CH 3 NH 3 + , Rb + , and Cs + ). These compounds, which are reddish in color, can be distinguished from structurally similar compounds obtained by hydrothermal methods on the basis of structure, spectroscopic, and magnetic properties. The latter are green and incorporate oxygen, with the actual formula Cs 2 WO x Cl 6–x and distinct optical absorption and emission behavior. Furthermore, the local-moment magnetism of the pure-red d 2 compounds reported here does not correspond to the appropriate Kotani model, suggesting as-yet undiscovered physics in these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantum-size-tuned heterostructures enable efficient and stable inverted perovskite solar cells

The energy landscape of reduced-dimensional perovskites (RDPs) can be tailored by adjusting their layer width (n). Recently, 2D/3D heterostructures containing n = 1 and 2 RDPs have produced PSCs with > 25% power conversion efficiency (PCE). Unfortunately, this method does not translate to inverted PSCs due to electron blocking at the 2D/3D interface. Here we report a method to increase the layer width of RDPs in 2D/3D heterostructures in order to address this problem. We discover that bulkier organics form 2D heterostructures more slowly, resulting in wider RDPs; and that small modifications to ligand design induce preferential growth of n ≥ 3 RDPs. Levering these insights, we developed efficient inverted PSCs (certified 23.91% quasi-steady state efficiency). Furthermore, unencapsulated devices operate at room temperature and ~50% relative humidity for over 1000 hrs without loss of PCE; and, when subjected to ISOS-L3 accelerated aging encapsulated devices retain 92% of PCE after 500 hrs.

14 SOLAR ENERGY↗

Mechanistic insight into the effects of A-site doping in perovskite nanorods on interfacial Li-ion and Na-ion transport in polymer–perovskite composite electrolytes

Composite polymer electrolytes (CPEs) offer a promising pathway to safer and higher energy density electrochemical energy storage yet optimizing interfacial ion transport remains a critical challenge due to high resistances and a lack of understanding of the complex interfacial electrostatic interactions. This work investigates the mechanistic origins of the interfacial ion transport enhancement in single-ion conducting (SIC) polymer electrolytes filled with A-site disordered perovskite LaxMyTiOz (LMTO) (M = Li, Na, K) nanorods. By integrating Density Functional Theory (DFT) with broadband dielectric spectroscopy (BDS) and pulsed-field-gradient NMR (PFG-NMR), we analyze the ion transport behavior in Li-based and Na-based SIC systems containing compositionally distinct LMTO fillers (LMTO800 and LMTO900). Specifically, we introduce the site-to-site energy difference (ΔE) descriptor, which extends beyond single-site descriptors such as adsorption energy and ion binding energies. We demonstrate that ΔE together with ion binding energies provide a more comprehensive picture of the energy landscape at the polymer–ceramic interface. The combined DFT and experimental results show that A-site doping in the ceramic filler can effectively modulate ΔE and ion binding energies, creating a favorable potential energy landscape that promotes enhanced ion transport along the interface. This comprehensive study illustrates the impact of ceramic compositional tuning on interfacial ion transport and provides materials design rules towards real-world applications.

B shepard, Lauren [Pennsylvania State University]↗