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Updated: Mar 27, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Retraction Note: Electronic and optical structural manipulation of NbS2 defects under strain: first-principles

JunJie Ni1, Lu Yang2, Jinlin Bao1

  • 1College of Constructional Engineering, Shenyang University of Technology, Shenyang, 110870, China.

Journal of Molecular Modeling
|March 25, 2026
PubMed
Abstract

No abstract available in PubMed .

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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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