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Related papers: Mixed-anion mixed-cation perovskite (FAPbI$_3$)$_{…

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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

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…

Applied Physics · Physics 2021-09-30 Yun-Sim Kim , Chol-Hyok Ri , Yun-Hyok Kye , Un-Gi Jong , Chol-Jun Yu

Hybrid halide perovskites are currently under intense investigation due to their potential applications in optoelectronics and solar cells. Among them, MAPbI$_3$ where MA stands for the methylammonium cation, exhibits ideal properties for…

Materials Science · Physics 2017-07-10 A. Koliogiorgos , S. Baskoutas , I. Galanakis

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…

The recent reaching of 20% of conversion efficiency by solar cells based on metal hybrid perovskites (MHP), e.g., the methylammonium (MA) lead iodide, CH3NH3PbI3 (MAPbI3), has excited the scientific community devoted to the photovoltaics…

Chemical Physics · Physics 2018-12-14 Diego Guedes-Sobrinho , Ivan Guilhon , Marcelo Marques , Lara K. Teles

Metal halide perovskite solar cells have achieved dramatic improvements in their power conversion efficiency in the recent past. Since compositional engineering plays an important role in optimizing material properties, we investigate the…

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…

Materials Science · Physics 2020-07-08 Daniel B. Straus , Shu Guo , Milinda Abeykoon , Robert J. Cava

Photochemical stability of encapsulated films of mixed halide perovskites with a range of MAPb(I1-xBrx)3 compositions (solid solutions) was investigated under accelerated stressing using concentrated sunlight. Evolution of light absorption…

Hybrid organic-inorganic perovskites, MAPbX3 (X= halogen), containing methylammonium (MA: CH3-NH3+) in the large voids conformed by the PbX6 octahedral network, are the active absorption materials in the new generation of solar cells.…

Methylammonium lead iodide (CH3NH3PbI3) perovskite solar cell has produced a remarkable breakthrough in the photovoltaic history of solar cell technology because of its outstanding device based performance as a light-harvesting…

Chemical Physics · Physics 2017-03-31 Arpita Varadwaj , Pradeep R Varadwaj , Koichi Yamashita

The organic-inorganic hybrid perovskite CH3NH3PbI3 has attracted significant interest for its high performance in converting solar light into electrical power with an efficiency exceeding 20%. Unfortunately, chemical stability is one major…

Materials Science · Physics 2018-03-02 Yue-Yu Zhang , Shiyou Chen , Peng Xu , Hongjun Xiang , Xin-Gao Gong , Aron Walsh , Su-Huai Wei

Determining the finite temperature structure of the hybrid perovskite MAPbI3 is a challenge for both experimental and theoretical methods. A very powerful computational method that can resolve the atomic structure is molecular dynamics…

Materials Science · Physics 2018-07-25 Jonathan Lahnsteiner , Georg Kresse , Jurn Heinen , Menno Bokdam

Organic or inorganic (A) metal (M) halide (X) perovskites (AMX3) are semiconductor materials setting the basis for the development of highly efficient, low-cost and multijunction solar energy conversion devices. The best efficiencies…

Materials Science · Physics 2018-10-17 Frederike Lehmann , Silvia Binet , Alexandra Franz , Andreas Taubert , Susan Schorr

Recently, replacing or mixing organic molecules in the hybrid halide perovskites with the inorganic Cs or Rb cations has been reported to increase the material stability with the comparable solar cell performance. In this work, we…

Materials Science · Physics 2018-09-19 Un-Gi Jong , Chol-Jun Yu , Yun-Sim Kim , Yun-Hyok Kye , Chol-Ho Kim

Ionic migration in organo-halide perovskites plays an important role in operation of perovskite based solar cells and light emitting diodes. Despite the ionic migration being a reversible process, it often leads to worsening of perovskite…

We explore the degradation behaviour under continuous illumination and direct oxygen exposure of inverted unencapsulated formamidinium(FA)0.83Cs0.17Pb(I0.8Br0.2)3, CH3NH3PbI3, and CH3NH3PbI3-xClx perovskite solar cells. We continuously test…

Doping organic metal-halide perovskites with cesium could be the best solution to stabilize highly-efficient perovskite solar cells. The understanding of the respective roles of the organic molecule, on one hand, and the inorganic lattice,…

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…

Materials Science · Physics 2017-07-14 T. A. Tyson , W. Gao , Y. -S. Chen , S. Ghose , Y. Yan

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

The hybrid halide perovskite CH$_{3}$NH$_{3}$PbI$_{3}$ has enabled solar cells to reach an efficiency of about 18\%, demonstrating a pace for improvements with no precedents in the solar energy arena. Despite such explosive progress, the…

Materials Science · Physics 2015-05-20 Carlo Motta , Fedwa El Mellouhi , Sabre Kais , Nouar Tabet , Fahhad Alharbi , Stefano Sanvito
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