Molecular Vibration Theoretical Analysis of Two-Dimensional Photoelectric Conversion Material WSe2

  • Rui Zhang, Hong Bo Li, Guo Qiang Hao, Wen Bo Liu, Xiao Jun Ye, Zheng Hong Li, Xiao Yuan, Cui Liu
  • Key Engineering Materials, March 2018, Trans Tech Publications
  • DOI: 10.4028/

Molecular Vibration Theoretical Analysis of monolayer WSe2

What is it about?

The molecule vibration modes of monolayer and bulk WSe2 was analyzed by factor group and the phonons dispersion and vibration frequency was calculated by first-principles based on density functional theory.

Why is it important?

The transition metal dichalcogenides has a unique phonon structure, in which the phonons change with the layers. Therefore, the study of lattice vibration and phonons plays an important role in lattice particle dynamics and electron transport.



Writing this article was a great pleasure as it has co-authors with whom I have had long standing collaborations.

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