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Related Concept Videos

¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

2.0K
A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
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Regioselectivity of Electrophilic Additions-Peroxide Effect02:35

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In the presence of organic peroxides, the addition of hydrogen bromide to an alkene yields the isomer that is not predicted by Markovnikov’s rule. For example, the addition of hydrogen bromide to 2-methylpropene in the presence of peroxides gives 1-bromo-2-methylpropane. This addition reaction proceeds via a free radical mechanism, which reverses the regioselectivity. The free radical reaction mechanism involves three stages: initiation, propagation, and termination.
11.3K
π Electron Effects on Chemical Shift: Overview01:27

π Electron Effects on Chemical Shift: Overview

1.8K
An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0,...
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Facile Synthesis of Colloidal Lead Halide Perovskite Nanoplatelets via Ligand-Assisted Reprecipitation

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Rashba Band Splitting in Organohalide Lead Perovskites: Bulk and Surface Effects.

Edoardo Mosconi1,2, Thibaud Etienne1,3, Filippo De Angelis1,2

  • 1Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), CNR-ISTM, via Elce di Sotto, I-06123, Perugia, Italy.

The Journal of Physical Chemistry Letters
|May 4, 2017
PubMed
Summary

A Rashba/Dresselhaus band splitting in organohalide perovskites, specifically methylammonium lead iodide, is investigated. A static surface band splitting due to structural distortion explains reduced electron-hole recombination, contributing to perovskite success.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Solid-State Chemistry

Background:

  • Organohalide perovskites exhibit reduced electron-hole recombination rates.
  • Rashba/Dresselhaus band splitting has been measured and implicated in these reduced rates.

Purpose of the Study:

  • To investigate the interplay of electronic and nuclear degrees of freedom in Rashba/Dresselhaus band splitting in methylammonium lead iodide (MAPbI3).
  • To distinguish between bulk and surface effects contributing to band splitting.

Main Methods:

  • Theoretical modeling of methylammonium lead iodide (MAPbI3) focusing on electronic and nuclear interactions.
  • Analysis of bulk versus surface contributions to band splitting phenomena.

Main Results:

  • A spatially local band splitting effect is potentially active in the bulk of MAPbI3.
  • A "static" band-splitting effect, attributed to structural distortion, is identified at the surfaces of MAPbI3.

Conclusions:

  • The identified surface band splitting effect in MAPbI3 is consistent with experimentally observed low surface recombination rates.
  • This surface effect may be a key factor in the high performance of organohalide perovskites.