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April 10, 2026The Journal of Physical Chemistry C

High Spin Thermoelectricity and Pure Spin Photogalvanic Effects in h -Phase Niobium Dinitride Monolayers and Edge-Engineered Nanoribbons

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Authors

YLYushen LiuXTXixi TaoYTYu Tao

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Overview

Investigates spin-resolved properties of niobium dinitride, revealing significant spin-related effects in nanoribbons and monolayers, suggesting potential applications in advanced...

Key Points

  • The aim is to explore the electronic and transport properties of hydrogenated monolayer NbN2H2 and its nanoribbons.
  • Utilized density functional theory (DFT) for electronic structure calculations.
  • Performed quantum transport simulations to assess spin-dependent transmission.
  • Analyzed the electronic behavior of monolayers and nanoribbons in different magnetic configurations.
  • Monolayer NbN2H2 exhibits a finite spin bandgap of 0.594 eV and significant spin-dependent transmission.
  • Large spin Seebeck coefficient of approximately 2236.8 μV/K in parallel configuration.
  • Armchair nanoribbons retain spin semiconducting properties, whereas zigzag nanoribbons show metallic characteristics.

Cite This Study

Liu et al. (2026) studied this question.

synapsesocial.com/papers/69d896566c1944d70ce07b55https://doi.org/10.1021/acs.jpcc.6c01014
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