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Two critical limitations of organic-inorganic lead halide perovskite materials for solar cells are their poor stability in humid environments and inclusion of toxic lead. In this study, high-throughput density functional theory (DFT)…

Materials Science · Physics 2019-04-12 Ryan Jacobs , Guangfu Luo , Dane Morgan

Perovskite photovoltaic technologies are approaching commercial deployment, yet single junction and tandem architectures both still have significant room to improve power conversion efficiency and stability. The ability to perform rapid…

A key challenge in the development of materials for the next generation of solar cells, sensors and transistors is linking macroscopic device performance to underlying microscopic properties. For years, fabrication of devices has been…

The performance of organometallic perovskite solar cells has rapidly surpassed that of both conventional dye-sensitised and organic photovoltaics. High power conversion efficiency can be realised in both mesoporous and thin-film device…

Halide perovskites have remarkable properties for relatively crudely processed semiconductors, including large optical absorption coefficients and long charge carrier lifetimes. Thanks to such properties, these materials are now competing…

Applied Physics · Physics 2019-12-03 Géraud Delport , Stuart Macpherson , Samuel D. Stranks

Selecting suitable charge transport layers and suppressing non-radiative recombination at interfaces to the absorber layer are vital to maximize the efficiency of halide perovskite solar cells. In this work, high-quality perovskite thin…

In the last few years there is an unprecedented progress in the increase of the power conversion efficiency of perovskite solar cells. Evidently, further advances of the efficiency of these devices will depend on the constraints imposed by…

While perovskite solar cells (PSCs) are now reaching high power conversion efficiencies (PCEs), further performance improvement requires a fine management and an optimization of the light pathway and harvesting in the cells. These go…

Halide perovskites exhibit unpredictable properties in response to environmental stressors, due to several composition-dependent degradation mechanisms. In this work, we apply data visualization and machine learning (ML) techniques to…

Ruddlesden-Popper hybrid halide perovskite are quasi-two-dimensional materials with a layered structure and structural dynamics that are determined by the interplay between the organic and inorganic layers. While their optical properties…

Hybrid organic-inorganic halide perovskites have emerged as a disruptive new class of materials, exhibiting optimum properties for a broad range of optoelectronic applications, most notably for photovoltaics. The first report of highly…

Materials Science · Physics 2018-08-21 Marina R. Filip , George Volonakis , Feliciano Giustino

This paper presents a first step toward a pragmatic phenomenological multiscale approach to evaluate perovskite solar cell performance which determines material properties at the atomistic scale with first-principles calculations, and…

Materials Science · Physics 2026-01-08 Ph Baranek , J P Connolly , A Gissler , Ph Schulz , M Rérat , R Dovesi

Understanding and quantifying the main loss factors affecting the power conversion efficiency of perovskite solar cells are urgently needed. In this work, based on semiconductor physics, the expressions of bulk and surface recombination…

Mesoscale and Nanoscale Physics · Physics 2021-03-23 Ting Xu , Zi-Shuai Wang , Xuan-Hua Li , Wei E. I. Sha

Optimizing selective contact layers in photovoltaics is necessary to yield high performing stable devices. However, this has been difficult for perovskites due to their complex interfacial defects that affect carrier concentrations in the…

Solar energy is anticipated to be the most viable source of sustainable green energy. Perovskites have gained significant research attention in recent years as a solar energy harvesting material due to their desirable photovoltaic enabling…

Materials Science · Physics 2019-10-10 Richa Pandey , Gaurav Vats , Jae Yun , Chris R Bowen , Anita W. Y. Ho-Baillie , Jan Seidel

The enhancement of the fill factor in the current generation of perovskite solar cells is the key for further efficiency improvement. Thus, methods to quantify the fill factor losses are urgently needed. A classical method to quantify Ohmic…

Applied Physics · Physics 2022-07-07 David Grabowski , Zhifa Liu , Gunnar Schöpe , Uwe Rau , Thomas Kirchartz

The performance of perovskite solar cells recently exceeded 15% solar-to-electricity conversion efficiency for small-area devices. The fundamental properties of the active absorber layers, hybrid organic-inorganic perovskites formed from…

Materials Science · Physics 2013-10-11 Federico Brivio , Alison B. Walker , Aron Walsh

Organometallic halide perovskites have garnered considerable attention in recent times due to their promising optoelectronic attributes, particularly within the realm of solar photovoltaics (PV). How perovskite films form is of utmost…

The electronic orbital characteristics at the band edges plays an important role in determining the electrical, optical and defect properties of perovskite photovoltaic materials. It is highly desirable to establish the relationship between…

Materials Science · Physics 2020-06-01 Gang Tang , Vei Wang , Yajun Zhang , Philippe Ghosez , Jiawang Hong