Emi of MXene/MBene surface type FexB films intensity of protection efficiencies function theory and Monte Carlo method research with approach

In this thesis, the structural, electronic, magnetic and optical properties of FeXB (FeB, Fe2B) within the scope of MBenes, the newest member of the MXenes family, were investigated using ab-initio methods. Then, the electromagnetic shielding efficiency of 2D film layers obtained with these materials was investigated in detail by considering the polarization state of the photon. In order to avoid name confusion in the study; FeB(1) for FeB'nin the I41/amd space group, FeB(2) for FeB'nin the cmcm space group, Fe2B(1) for Fe2B in the I41/mcm space group, Fe2B(2) for Fe2B in the P4/mmm space group. Density function theory (DFT) using quantum mechanical background was used to analyze these 4 materials. All four different monolayer film structures obtained using FeXB nanoparticles (FeB(1), FeB(2), Fe2B(1), Fe2B(2)) were found to exhibit shielding performance above 20 dB in the ultraviolet region. The most effective way to protect from electromagnetic radiation is to use shielding materials with high electrical conductivity and high magnetic permeability. FexB structures obtained by doping iron on boron base have shown that they are candidates to be the next generation shielding material thanks to their metallic behavior and magnetic properties, as well as their many superior properties. Their shielding performance of around >20 dB even in single-layer atomic structures is exciting.