Nano

SKKU Advanced Institute of Nano Technology (성균관대학교 성균나노과학기술원)
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First-Principles Study on the Electronic Structure of Bulk and Single-Layer Boehmite

  • Son, Seungwook (Department of Physics and Astronomy Seoul National University) ;
  • Kim, Dongwook (Department of Physics and Astronomy Seoul National University) ;
  • Na-Phattalung, Sutassana (Department of Basic Science and Physical Education Faculty of Science at Si Racha, Kasetsart University) ;
  • Ihm, Jisoon (Department of Physics Pohang University of Science and Technology)
  • Received : 2018.06.15
  • Accepted : 2018.12.06
  • Published : 2018.12.31
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Abstract

Two-dimensional (2D) or layered materials have a great potential for applications in energy storage, catalysis, optoelectronics and gas separation. Fabricating novel 2D or quasi-2D layered materials composed of relatively abundant and inexpensive atomic species is an important issue for practical usage in industry. Here, we suggest the layer-structured AlOOH (Boehmite) as a promising candidate for such applications. Boehmite is a well-known layer-structured material and a single-layer can be exfoliated from the bulk boehmite by breaking the interlayer hydrogen bonding. We study atomic and electronic band structures of both bulk and single-layer boehmite, and also obtain the single-layer exfoliation energy using first-principles calculations.

Keywords

References

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