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      Cubic Perovskite Structure of Black Formamidinium Lead Iodide, α-[HC(NH 2) 2]PbI 3, at 298 K

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          Abstract

          The structure of black formamidinium lead halide, α-[HC(NH 2) 2]PbI 3, at 298 K has been refined from high resolution neutron powder diffraction data and found to adopt a cubic perovskite unit cell, a = 6.3620(8) Å. The trigonal planar [HC(NH 2) 2] + cations lie in the central mirror plane of the unit cell with the formamidinium cations disordered over 12 possible sites arranged so that the C–H bond is directed into a cube face, whereas the −NH 2 groups hydrogen bond (NH···I = 2.75–3.00 Å) with the iodide atoms of the [PbI 3] framework. High atomic displacement parameters for the formamidinium cation are consistent with rapid molecular rotations at room temperature as evidenced in ab initio molecular dynamic simulations.

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          Simple analytical expression for the peak-frequency shifts of plasmonic resonances for sensing

          We derive a closed-form expression that accurately predicts the peak frequency-shift and broadening induced by tiny perturbations of plasmonic nanoresonators without critically relying on repeated electrodynamic simulations of the spectral response of nanoresonator for various locations, sizes or shapes of the perturbing objects. The force of the present approach, in comparison with other approaches of the same kind, is that the derivation is supported by a mathematical formalism based on a rigorous normalization of the resonance modes of nanoresonators consisting of lossy and dispersive materials. Accordingly, accurate predictions are obtained for a large range of nanoparticle shapes and sizes, used in various plasmonic nanosensors, even beyond the quasistatic limit. The expression gives quantitative insight, and combined with an open-source code, provides accurate and fast predictions that are ideally suited for preliminary designs or for interpretation of experimental data. It is also valid for photonic resonators with large mode volumes.
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            High-efficiency perovskite solar cells based on the black polymorph of HC(NH2)2 PbI3.

            Perovskite solar cells with power conversion efficiencies exceeding 16% at AM 1.5 G one sun illumination are developed using the black polymorph of formamidnium lead iodide, HC(NH2)2 PbI3 . Compared with CH3 NH3 PbI3 , HC(NH2 )2 PbI3 extends its absoprtion to 840 nm and shows no phase transition between 296 and 423 K. Moreover, a solar cell based on HC(NH2 )2 PbI3 exhibits photostability and little I-V hysteresis.
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              Probing quantum confinement within single core-multishell nanowires

              Theoretically core-multishell nanowires under a cross-section of hexagonal geometry should exhibit peculiar confinement effects. Using a hard X-ray nanobeam, here we show experimental evidence for carrier localization phenomena at the hexagon corners by combining synchrotron excited optical luminescence with simultaneous X-ray fluorescence spectroscopy. Applied to single coaxial n-GaN/InGaN multiquantum-well/p-GaN nanowires, our experiment narrows the gap between optical microscopy and high-resolution X-ray imaging, and calls for further studies on the underlying mechanisms of optoelectronic nanodevices.
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                Author and article information

                Journal
                J Phys Chem Lett
                J Phys Chem Lett
                jz
                jpclcd
                The Journal of Physical Chemistry Letters
                American Chemical Society
                1948-7185
                04 August 2015
                20 August 2015
                : 6
                : 16
                : 3209-3212
                Affiliations
                [1]Centre for Sustainable Chemical Technologies and Department of Chemistry, University of Bath , Bath, BA2 7AY, United Kingdom
                Author notes
                Article
                10.1021/acs.jpclett.5b01432
                4603719
                afc4e31d-953e-4659-b655-0521cc6fc5ed
                Copyright © 2015 American Chemical Society

                This is an open access article published under a Creative Commons Attribution (CC-BY) License, which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.

                History
                : 07 July 2015
                : 04 August 2015
                Categories
                Letter
                Custom metadata
                jz5b01432
                jz-2015-01432t

                Physical chemistry
                Physical chemistry

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