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Beilstein J. Nanotechnol. 2018, 9, 1641–1646, doi:10.3762/bjnano.9.156
Figure 1: Top and side views of the most favorable NO and NO2 adsorption configurations on monolayers of MoS2...
Figure 2: (a–c) TDOS and magnetic charge distribution of (a) the pristine MoS2 monolayer, and MOS2 with (b) a...
Figure 3: Spin orbital-resolved band structures for WS2 with (a) adsorbed NO and (b–e) adsorbed NO2. The red ...
Figure 4: TDOS of (a) the pristine WS2 monolayer, and the WS2 monolayer with (b) NO adsorbed and (c) NO2 adso...
Beilstein J. Nanotechnol. 2018, 9, 1247–1253, doi:10.3762/bjnano.9.116
Figure 1: Crystal structure side view of (a) SiAs2 bulk (3 × 2 super cells) and (b) GeAs2 bulk (red: silicon,...
Figure 2: Phonon band structure of a monolayer of (a) SiAs2 and (b) GeAs2 along the high-symmetry points in t...
Figure 3: Band structure for SiAs2 and GeAs2 calculated by the HSE-Wannier function method. The Fermi level i...
Figure 4: Calculated light absorption spectrum of monolayers of SiAs2 (green) and GeAs2 (blue) using HSE func...
Figure 5: (a,c) GW-band structures and (b,d) BSE-optical absorption spectra of SiAs2 and GeAs2, respectively.
Beilstein J. Nanotechnol. 2015, 6, 2470–2476, doi:10.3762/bjnano.6.256
Figure 1: The geometrical structures of Sn, SnH, and SnF lattices from top (a–c) and side (d–f) views. Color ...
Figure 2: Minimum pathway for noble gases (He, Ne and Ar) penetrating through 2D Sn lattice under (a) 0%, (b)...
Figure 3: Minimum pathway for noble gases (He, Ne and Ar) passing through a 2D SnH lattice under (a) 0%, (b) ...
Figure 4: Minimum pathway for noble gases (He, Ne and Ar) passing through a 2D SnF lattice under (a) 0%, (b) ...
Figure 5: Diffusion rate (a) and selectivity (b) for noble gases (He, Ne and Ar) penetrating through 2D Sn, S...