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Related Concept Videos

Imperfections in Crystal Structure: Stoichiometric Point Defects01:26

Imperfections in Crystal Structure: Stoichiometric Point Defects

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Schottky defects arise when some lattice points in a crystal, such as those in NaCl, remain unoccupied, creating lattice vacancies without disturbing the overall electrical neutrality of the crystal. This defect is common in ionic crystals where the positive and negative ions are similar in size, as seen in sodium chloride and cesium chloride. The presence of Schottky defects enables the crystal to conduct electricity to a small extent through an ionic mechanism. Electric fields cause nearby...
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Imperfections in Crystal Structure: Non-Stoichiometric Defects01:29

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Non-stoichiometric defects refer to a type of defect in the crystal structure of a compound where the ratio of its constituent elements deviates from the ideal stoichiometric ratio. There are two main types of non-stoichiometric defects: metal excess defects and metal deficiency defects.Metal excess defects occur when there is a slight surplus of metal ions than what is required by the stoichiometric ratio of the compound. For example, heating a sodium chloride crystal in sodium vapor results...
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A perfect crystal, in theory, has a uniform structure with the same unit cell and lattice points throughout. However, any deviation from this periodic arrangement is known as an imperfection or defect. These defects can be categorized into three types: point, line, and plane defects.Point defects occur when there is a deviation from the ideal due to missing atoms, displaced atoms, or additional atoms. These imperfections might occur due to imperfect packing during crystallization or because of...
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Synthesis and Calibration of Phosphorescent Nanoprobes for Oxygen Imaging in Biological Systems
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Oxygen defects in phosphorene.

A Ziletti1, A Carvalho2, D K Campbell3

  • 1Department of Chemistry, Boston University, 590 Commonwealth Avenue, Boston, Massachusetts 02215, USA.

Physical Review Letters
|February 14, 2015
PubMed
Summary
This summary is machine-generated.

Oxygen adsorption degrades phosphorene, releasing energy. While stable forms are inactive, metastable oxygen configurations create electrical defects, impacting phosphorene

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Area of Science:

  • Materials Science
  • Surface Chemistry
  • Quantum Chemistry

Background:

  • Phosphorene, a 2D material, is susceptible to degradation via surface reactions.
  • Oxygen interaction is a primary factor limiting phosphorene's stability and performance.

Purpose of the Study:

  • Investigate the fundamental mechanisms of phosphorene oxidation.
  • Characterize the electronic and structural effects of oxygen adsorption on phosphorene.
  • Propose a model for phosphorene oxidation and its impact on material properties.

Main Methods:

  • First-principles calculations were employed to simulate oxygen adsorption on phosphorene.
  • Energetic stability and electronic structure changes were analyzed.
  • Lattice distortions and defect levels were investigated.

Main Results:

  • Oxygen adsorption releases significant energy (~2 eV per atom).
  • Stable adsorbed oxygen forms cause minor structural changes and are electrically inactive.
  • Low-energy metastable forms introduce deep donor/acceptor levels within the band gap.
  • A novel oxidation mechanism involving reactive dangling oxygen atoms was proposed.

Conclusions:

  • Oxygen adsorption significantly impacts phosphorene's electronic properties, creating defect states.
  • Metastable oxygen configurations are key to understanding phosphorene degradation.
  • The proposed oxidation mechanism and increased hydrophilicity offer insights for material design and passivation strategies.