Adsorption of Water Molecule on Silicene-FE System

After graphene synthesis[1], there have been numerous studies on similar systems in two dimensions so, we have the borophene [2], germanene [3], silicene [4,5], phosphorene [6], etc. Following this line, I do a study that takes the silicene system at its starting point, system to which it add Fe atom. At first, the stability of SILICENE-Fe system is studied, which is stable. Then a water molecule is added to the SILICENE-Fe system, which is captured, as is bounded to the Fe atom. To make this study I used Functional Density Theory, Born-Openheimer Approximation, Atomic Pseudopotentials and Molecular Dynamics. \newline \noindent [1] Novoselov, K.S.;Geim, A.K. et al, Science, {\bf 306 }, 666 (2004).\newline [2] Yang, X., et al, PRB,{\bf 77}, 041402(R) (2008). \newline [3] Bianco, E., et al, ACS Nano, {\bf 7}, 4414 (2013). \newline [4] Kamal, C, et al, J.Phys.: Condens. Matter, {\bf 25}, 085508 (2013). \newline [5] Drummond, N.P., et al, PRB,{\bf 85}, 075423 (2012). \newline [6] Liang, L., et al, Nanolett., {\bf 14}, 6400 (2014).