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Beilstein J. Nanotechnol. 2017, 8, 1808–1814, doi:10.3762/bjnano.8.182
Figure 1: (a) Side view of the Ag(111) supercell structure and (b) top view of the Ag(111) supercell structur...
Figure 2: Top view of Ag(111) geometric structures after capturing an oxygen atom and an O2 molecule. (a) hcp...
Figure 3: (a) Side view of the silicene-coated Ag(111) supercell structure and (b) top view of the silicene-c...
Figure 4: Final configurations of silicene-coated Ag(111) after capturing an oxygen atom at the sites (a) H1,...
Figure 5: Indentation of an oxygen atom at different hollow sites. Ebr is the energy barrier the oxygen atom ...
Figure 6: Indentation calculations for an O2 molecule. Inset graphs show structures according to local-minimu...
Beilstein J. Nanotechnol. 2017, 8, 1742–1748, doi:10.3762/bjnano.8.175
Figure 1: Top and side views of (a) H-α-Si and (b) its three different hexagonal units α-I, α-II, and α-III. ...
Figure 2: (a) Top view of possible adsorption sites for a Li atom on H-α-Si. Energy barrier graphs of (b) the...
Figure 3: (a) Top view of possible adsorption sites for Li atom on H-β-Si. Energy barrier graphs of (b) the f...
Figure 4: (Color online) Contour plots of the energy barriers (in meV) seen by Li atom adsorbed on (a) H-α-Si...