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Ab initio calculations within the density-functional theory formalism areperformed to investigate the chemical functionalization of a graphene-likemonolayer of silicon - silicene - with B, N, Al or P atoms. The structural,electronic, magnetic and vibrational properties are reported. The mostpreferable adsorption sites are found to be valley, bridge, valley and hillsite for B, N, Al and P adatoms, respectively. All the relaxed systems withadsorbed/substituted atoms exhibit metallic behaviour with strongly bonded B,N, Al, and P atoms accompanied by an appreciable electron transfer fromsilicene to the B, N and P adatom/substituent. The Al atoms exhibit oppositecharge transfer, with n-type doping of silicene and weaker bonding. Theadatoms/substituents induce characteristic branches in the phonon spectrum ofsilicene, which can be probed by Raman measurements. Using molecular dynamicswe found that the systems under study are stable up to at least T = 500 K. Ourresults demonstrate that silicene has a very reactive and functionalizablesurface.

Adsorption and absorption of Boron, Nitrogen, Aluminium and Phosphorus on Silicene: stability, electronic and phonon properties