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Beilstein J. Nanotechnol. 2019, 10, 774–780, doi:10.3762/bjnano.10.77
Figure 1: Cross-section and side views of (a) 2H-MoS2 and (b) 1T'-MoS2 monolayers. Orbital-decomposed band st...
Figure 2: The calculated binding energies of Li2Sx on 2H-MoS2 and 1T'-MoS2 monolayers.
Figure 3: Isosurface (0.0005 e/Å3) of the charge distributions of Li2Sx absorbed on 2H-MoS2 monolayer. The re...
Figure 4: Isosurface (0.0005 e/Å3) of the charge distributions of Li2Sx absorbed on 1T'-MoS2 monolayer. The r...
Beilstein J. Nanotechnol. 2018, 9, 1820–1827, doi:10.3762/bjnano.9.173
Figure 1: (a) Top view and (b) side view of monolayer SnSeS. (c) Variation of the lattice constant as a funct...
Figure 2: Atom configuration of possible adsorption sites for hydrogen on the SnSeS monolayer.
Figure 3: (a) A schematic diagram showing strain applied to SnSe2(1−x)S2x monolayer. (b) Evolution of ΔGH for...
Figure 4: Band gaps of the SnSe2(1−x)S2x monolayers as a function of mechanical strain.
Figure 5: Band structures for SnSeS and SnSe0.5S1.5 monolayers with strain of −5%, −3%, 2%, 6% and 10%.
Beilstein J. Nanotechnol. 2017, 8, 2711–2718, doi:10.3762/bjnano.8.270
Figure 1: Top and side views of ball and stick models of a MX2 monolayer in (a) 2H, (b) 1T and (c) 1T' phase....
Figure 2: Band structures of MX2 monolayers in the stable phase. Fermi energy level is set to be 0.
Figure 3: Possible adsorption sites and diffusion paths for Li on a monolayer of (a) 2H-, (b) 1T- and (c) 1T'...
Figure 4: Adsorption energy and diffusion energy barrier for Li on MX2 monolayers in the stable phase.