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Related Concept Videos

Semiconductors01:22

Semiconductors

1.3K
There is variation in the electrical conductivity of materials - metals, semiconductors, and insulators that are showcased with the help of the energy band diagrams.
Metals such as copper (Cu), zinc (Zn), or lead (Pb) have low resistivity and feature conduction bands that are either not fully occupied or overlap with the valence band, making a bandgap non-existent. This allows electrons in the highest energy levels of the valence band to easily transition to the conduction band upon gaining...
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Band Theory02:35

Band Theory

17.0K
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.
Conductor, Semiconductor,...
17.0K
Energy Bands in Solids01:01

Energy Bands in Solids

1.8K
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.
 Band Formation:
When atoms are brought close together, as in a solid, these discrete energy levels begin to split due to the overlap of electron orbitals from adjacent atoms. This split occurs because of the Pauli exclusion principle, which states...
1.8K
Metallic Solids02:37

Metallic Solids

20.4K
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
20.4K
Ionic Crystal Structures02:42

Ionic Crystal Structures

16.7K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
16.7K
Valence Bond Theory02:42

Valence Bond Theory

11.1K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
11.1K

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Rb4CuSb2Cl11 and Rb2In0.91(0.2)Sb0.09Cl5·H2O: Wide Band Gap 0D Metal Halide Semiconductors.

Hamza Shoukat1, Tamanna Pinky1, Muhammad Sani Muhammad1

  • 1Department of Chemistry & Biochemistry, University of Oklahoma, Norman, Oklahoma 73019, USA.

Inorganic Chemistry
|December 16, 2025
PubMed
Summary

We discovered Rb4CuSb2Cl11, a new lead-free halide with a unique structure and wide band gap for optoelectronics. This material exhibits high electrical resistivity and low trap-state density, making it promising for advanced applications.

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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Inorganic Chemistry

Background:

  • The search for novel lead-free halide materials is crucial for developing sustainable optoelectronic devices.
  • Quaternary metal halides offer diverse structural motifs and tunable properties.

Purpose of the Study:

  • To report the discovery and characterization of a new zero-dimensional (0D) lead-free all-inorganic halide, Rb4CuSb2Cl11.
  • To investigate its structural, photophysical, and optoelectronic properties.
  • To explore substitution analogs and their properties.

Main Methods:

  • Single-crystal X-ray diffraction (SCXRD) for structural determination.
  • Optoelectronic measurements to determine band gap and electrical resistivity.
  • Density functional theory (DFT) calculations for electronic structure analysis.
  • Photoluminescence quantum yield (PLQY) measurements.

Main Results:

  • Rb4CuSb2Cl11 crystallizes in a new structure type, featuring isolated [SbCl4]- and [CuCl3]2- units.
  • It possesses an indirect band gap of 2.89 eV, high electrical resistivity (1.29 × 10^10 Ω·cm), and low trap-state density (7.44 × 10^10 cm^-3).
  • A substitution analog, Rb2In0.91(0.2)Sb0.09Cl5·H2O, was synthesized and exhibits broad yellow emission with a PLQY of 18.2%.

Conclusions:

  • Rb4CuSb2Cl11 is a promising candidate for wide-bandgap optoelectronic applications due to its favorable electronic and structural properties.
  • The discovery expands the library of quaternary metal halides, highlighting the potential for new functional materials.
  • Correction of a previous erroneous report on Rb2SbCl5O is also noted.