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Since the very early stages of research on sustainable technologies, green energy conversion has always been a prime focus. With the discoveries of countless functional materials in recent years, significant progress has been made to meet…

Lead halide-based perovskite thin films have attracted great attention due to the explosive increase in perovskite solar cell efficiencies. The same optoelectronic properties that make perovskites ideal absorber materials in solar cells are…

By performing first-principles calculations on four capacitor structures based on BaTiO3 and PbTiO3, we determine the intrinsic interfacial effects that are responsible for the destabilization of the polar state in thin-film ferroelectric…

材料科学 · 物理学 2011-03-03 Massimiliano Stengel , David Vanderbilt , Nicola A. Spaldin

The family of hybrid organic-inorganic lead-halide perovskites are the subject of intense interest for optoelectronic applications, from light-emitting diodes to photovoltaics to X-ray detectors. Due to the inert nature of most organic…

The control of matter properties (transport, magnetic, dielectric,...) using synthesis as thin films is strongly hindered by the lack of reliable theories, able to guide the design of new systems, through the understanding of the interface…

强关联电子 · 物理学 2015-05-28 Marie-Bernadette Lepetit , Bernard Mercey , Charles Simon

Perovskite solar cells have achieved a substantial breakthrough via advanced interface engineerings. Reports have emphasized that combining the hybrid perovskites with Lewis base and graphene improve the performance; the underlying…

Hybrid organic-inorganic halide perovskites for photovoltaics have attracted research interest due to their unique material properties, but suffered from poor material stability. In this work, we investigated the surface phase diagrams of…

应用物理 · 物理学 2021-09-30 Yun-Sim Kim , Chol-Hyok Ri , Yun-Hyok Kye , Un-Gi Jong , Chol-Jun Yu

Inorganic-organic perovskites semiconductors are becoming increasingly interesting due to their remarkable optical properties, such as a high photoluminescence quantum yield and the possibility to show optical gain in a broad range of…

光学 · 物理学 2021-03-30 Michele Bellingeri , Francesco Scotognella

In complex transition metal oxide heterostructures of physically dissimilar perovskite compounds, interface phenomena can lead to novel physical properties not observed in either of their constituents. This remarkable feature opens new…

强关联电子 · 物理学 2011-12-30 Natalia Pavlenko , Thilo Kopp

Photoelectric conversion efficiency of organic-inorganic perovskite solar cells has been rapidly raised and attracted great attention in recent years. The quality of perovskite films is vital for the performance of devices. We used the…

应用物理 · 物理学 2018-10-05 Hao Zhang , Yalan Wang , Hong Wang , Meryang Ma , Shuai Dong , Qingyu Xu

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…

材料科学 · 物理学 2018-08-21 Marina R. Filip , George Volonakis , Feliciano Giustino

Despite their puzzling vibrational characteristics that include strong signatures of anharmonicity and thermal disorder already around room temperature, halide perovskites exhibit favorable optoelectronic properties for applications in…

材料科学 · 物理学 2022-02-08 Christian Gehrmann , Sebastián Caicedo-Dávila , Xiangzhou Zhu , David A. Egger

The high performance of hybrid perovskite based devices is attributed to its excellent bulk-transport properties. However, carrier dynamics, especially at the metal-perovskite interface, and its influence on device operation are not widely…

材料科学 · 物理学 2022-02-25 N. Ganesh , A. Z. Ashar , Sumukh Purohit , K. L. Narasimhan , K. S. Narayan

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…

材料科学 · 物理学 2026-01-08 Ph Baranek , J P Connolly , A Gissler , Ph Schulz , M Rérat , R Dovesi

Perovskite solar cells have reached power conversion efficiencies that rival those of established silicon photovoltaics. Nanotextures in perovskite solar cells scatter the incident light, thereby improving optical absorption. In addition,…

Metal halide perovskite-based semi-conducting hetero-structures have emerged as promising electronics for solar cells, light-emitting diodes, detectors, and photo-catalysts. Perovskites' efficiency, electronic properties and their long-term…

材料科学 · 物理学 2024-05-21 Paramvir Ahlawat , Cecilia Clementi , Felix Musil , Maria-Andreea Filip

Metal halide perovskites are attracting tremendous interest for a variety of optoelectronic applications. The ability to tune the perovskite bandgap by tweaking the chemical compositions opens up new applications as coloured emitters and as…

Using density functional theory, the structural and electronic-structure properties of a recently discovered, zero-dimensional antimony halide perovskite are studied. It is found that the herein considered material EtPySbBr$_\mathrm{6}$…

材料科学 · 物理学 2018-09-21 David A. Egger

Perovskite oxides exhibit a plethora of exceptional electronic properties, providing the basis for novel concepts of oxide-electronic devices. The interest in these materials is even extended by the remarkable characteristics of their…

Inorganic metal-halide cubic perovskite semiconductors have become more popular in industrial applications of photovoltaic and optoelectronic devices. Among various perovskites, lead-free materials are currently most explored due to their…

材料科学 · 物理学 2022-03-17 Nazmul Hasan , Md Arifuzzaman , Alamgir Kabir