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When two or more atoms come together to form a molecule, their atomic orbitals combine and molecular orbitals of distinct energies result. In a solid, there are a large number of atoms, and therefore a large number of atomic orbitals that may be combined into molecular orbitals. These groups of molecular orbitals are so closely placed together to form continuous regions of energies, known as the bands.
The energy difference between these bands is known as the band gap.
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Multicellular organisms employ a variety of ways for cells to communicate with each other. Gap junctions are specialized proteins that form pores between neighboring cells in animals, connecting the cytoplasm between the two, and allowing for the exchange of molecules and ions. They are found in a wide range of invertebrate and vertebrate species, mediate numerous functions including cell differentiation and development, and are associated with numerous human diseases, including cardiac and...
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The cytoplasm of adjacent animal cells can exchange small molecules, ions, and secondary messengers via the communication channels which form the gap junctions. These junctions comprise a few hundred to thousands of molecular channels, each made of two halves, called the connexon hemichannel. A connexon is a hexamer of six transmembrane connexin proteins, which assemble radially, thus forming a pore or channel in the center. One connexon hemichannel docks with a corresponding connexon on the...
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Structural Properties
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Isolated atoms have discrete energy levels that are well described by the Bohr model. And, it quantifies the energy of an electron in a hydrogen atom as En. Higher quantum numbers 'n' yield less negative, closer electron energy levels.
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Small-Band-Gap Halide Double Perovskites.

Adam H Slavney1, Linn Leppert2, Abraham Saldivar Valdes1

  • 1Department of Chemistry, Stanford University, Stanford, CA, 94305, USA.

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|August 9, 2018
PubMed
Summary

Researchers developed new halide double perovskites, Cs2AgTlX6, with significantly reduced band gaps. Compound 2 (X=Br) exhibits the lowest band gap (0.95 eV) for any known halide perovskite, enabling new applications.

Keywords:
absorberband gapband structuredopinghalide double perovskite

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Photovoltaics

Background:

  • Most halide double perovskites possess large band gaps, limiting their optoelectronic applications.
  • Developing strategies for narrow band gaps in halide perovskites is crucial for advanced material design.

Purpose of the Study:

  • To engineer halide double perovskites with significantly reduced band gaps.
  • To explore the relationship between electronic structure and band gap in Cs2AgTlX6 compounds.

Main Methods:

  • Synthesis of novel double perovskites Cs2AgTlX6 (X=Cl, Br).
  • Measurement of optical band gaps using spectroscopy.
  • Computational analysis of electronic band structures and orbital compositions.
  • Investigation of microwave conductivity lifetimes and doping mechanisms.

Main Results:

  • Cs2AgTlX6 compounds exhibit direct band gaps of 2.0 eV (X=Cl) and 0.95 eV (X=Br).
  • Compound 2 shows the lowest band gap reported for any halide perovskite.
  • Band gap reduction is achieved by aligning frontier orbitals of B- and B'-site metals.
  • Long microwave conductivity lifetimes (μs) observed in Cs2AgTlCl6 due to symmetry-forbidden band edges.
  • Facile self-doping via Br2 loss observed in Cs2AgTlBr6 under ambient conditions.

Conclusions:

  • A viable strategy for achieving small band gaps in halide double perovskites has been demonstrated.
  • The Cs2AgTlBr6 compound represents a new benchmark for low band gap halide perovskites.
  • Understanding metal-to-metal charge-transfer character is key to tuning band gaps in A2BB'X6 perovskites.