Antibacterial test on wool fabric Washing procedure of loaded wool
We have further studied the electronic and magnetic properties of the ZZ-SV-MoS2-RB-(4,5) and ZZ-DV-MoS2-RB-(4,4), whose optimized geometrical structures are shown in Fig. 2(c) and (d). Both of them are found to have two respective degenerate magnetic ground states with the same energy and FM coupling at the same edge. One is still the FM coupling ‘ + +’between two opposite edges, and the other is antiferromagnetic (AFM) coupling ‘ + −’ at two opposite edges, which is similar to the situation of the pristine ZZ-MoS2-NR. The ground state energies of the FM ‘ + +’ and AFM ‘ + −’configurations of the ZZ-SV-MoS2-RB-(4,5) and ZZ-DV-MoS2-RB-(4,4) are found to be 93.5 meV and 80.4 meV per supercell (with one Mo Torin1 at the edge) lower than their nonmagnetic ones, respectively. The spin-polarized charge densities of both the configurations are shown in the middle and right panels of Fig. 2(c) and (d), respectively. There are no magnetic moments on the sulfur line vacancy defects. For the ZZ-SV-MoS2-RB-(4,5) in the FM ‘ + +’ configuration, the total magnetic moments in a unit cell is notochord about 1.29 μB. But the value is 0.22 μB for the AFM ‘ + −’ one because the total magnetic moments at the opposite Mo and S edges are different. The corresponding two values for the ZZ-DV-MoS2-RB-(4,4) are 1.36 μB and 0.29 μB, respectively. The magnetic moments are mainly localized on the Mo and S atoms at its zigzag edges. The absolute values of the magnetic moments of the edge Mo and S atoms are about 0.6 μB and 0.3 μB, respectively.