M. Demirtas, H. Ustunel, D. Toffoli, Effect of Platinum, Gold and Potassium Additives on the Surface Chemistry of CdI2-Antitype Mo2C, ACS Omega (2017), DOI : 10.1021/acsomega.7b01044

D. Toffoli et al. Electronic properties of the boroxine-gold interface: evidence of ultra-fast charge delocalization, Chemical Science (2017), DOI : 10.1039/c6sc05632f

M. G. Sensoy, D. Toffoli, H, Ustunel, Structural and electronic properties of bulk and low-index surfaces of zincblende PtC, Journal of Physics-Condensed Matter (2017), DOI : 10.1088/1361-648X/aa57e3

S. Senozan, H. Ustunel, M.  Karatok, E. I. Vovk,  A. A. Shah, E.  Ozensoy, D. Toffoli, Comparative Analysis of Reactant and Product Adsorption Energies in the Selective Oxidative Coupling of Alcohols to Esters on Au(111), Topics in Catalysis (2016), DOI : 10.1007/s11244-016-0660-5

M. Tek, H. Ustunel, D. Toffoli, Active role of the support in NOx storage and reduction catalytic systems, Applied Surface Science (2015), DOI : 10.1016/j.apsusc.2015.08.002

C. S. Sayin, D. Toffoli, H. Ustunel, Covalent and noncovalent functionalization of pristine and defective graphene by cyclohexane and dehydrogenated derivatives, Applied Surface Science (2015), DOI : 10.1016/j.apsusc.2015.05.123