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  Bachelor's, Middle East Technical University, Physics
  Master's, Cornell University, Physics
  Doctorate, Cornell University, Physics

Publications (INTERNATIONAL)

Journal Papers

  A.1 Ataca C., Akturk E, Çıracı S., Üstünel H., High-capacity hydrogen storage by metallized graphene. "Applied Physics Letters", 93, (2008), p.4.
  A.2 Kokten H, Ustunel H, Erkoc S, Structural, Electronic and Magnetic Properties of BN Nanotubes Doped with Mn and Cr: Exploring the Potential for Device Technology. "JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE", 6, (2009), p.926-932.
  A.3 Wade AC, Lizzit S, Petaccia L, Goldoni A, Diop D, Ustunel H, Fabris S, Baroni S, Metallization of the C-60/Rh(100) interface revealed by valence photoelectron spectroscopy and density functional theory calculations. "Journal of Chemical Physics", 132, (2010), p.7.
  A.4 Hummatov, R, Gulseren O, Ozensoy E, Toffoli D, Ustunel H, First-Principles Investigation of NOx and SOx Adsorption on Anatase-Supported BaO and Pt Overlayers. "JOURNAL OF PHYSICAL CHEMISTRY C", 116, (2012), p.6191-6199.
  A.5 Artuc Z, Toffoli D, Ustunel H., First principles investigation of NO2 and SO2 adsorption on gamma-Al2O3 supported mono- and diatomic metal clusters. "RSC ADVANCES", 4, (2014), p.48492-48506.
  A.6 Ozcan, M; Toffoli, D; Ustunel, H; Dehri I., Insights into surface-adsorbate interactions in corrosion inhibition processes at the molecular level. "CORROSION SCIENCE", 80, (2014), p.482-486.
  A.7 Koc, M; Galioglu, S; Toffoli, D; Ustunel, H; Akata, B, Understanding the Effects of Ion-Exchange in Titanosilicate ETS-10: A Joint Theoretical and Experimental Study. "JOURNAL OF PHYSICAL CHEMISTRY C", 118, (2014), p.27281-27291.
  A.8 Andrea G., Ustunel H, Toffoli D, Yu LY Catone, D, Turchini S, Lizzit S, Stinge, Bis(triisopropylsilylethynyl)pentacene/Au(111) Interface: Coupling, Molecular Orientation, and Thermal Stability. "JOURNAL OF PHYSICAL CHEMISTRY C", 118, (2014), p.22522-22532.
  A.9 Mustafa Tek, Hande Üstünel, Daniele Toffoli, Active role of the support in NOx storage and reductioncatalytic systems. "APPLIED SURFACE SCIENCE", 355, (2015), p.1295-1305.
  A.10 Ceren Sibel Sayın, Daniele Toffoli, Hande Üstünel, Covalent and noncovalent functionalization of pristine and defective graphene by cyclohexane and dehydrogenated derivatives. "APPLIED SURFACE SCIENCE", 351, (2015), p.344-352.
  A.11 Ilday, S;Ilday,F. O. ; Hubner, R.; Prosa, TJ; Martin, I; Nogay,G; et al., Multiscale Self-Assembly of Silicon Quantum Dots into an Anisotropic Three-Dimensional Random Network. "Nano Letters", 16, (2016), p.1942-1948.
  A.12 Senozan, S; Ustunel, H; Karatok, M; Vovk, EI ; Shah, AA; Ozensoy, E; Toffoli, D, Comparative Analysis of Reactant and Product Adsorption Energies in the Selective Oxidative Coupling of Alcohols to Esters on Au(111). "TOPICS IN CATALYSIS", 59, (2016), p.1383-1393.
  A.13 SENSOY MEHMET GÖKHAN,TOFFOLİ HANDE,Toffoli Daniele,, Structural and electronic properties of bulk and low-index surfaces of zincblende PtC. "Journal of Physics: Condensed Matter", 29, (2017), p.125002.
  A.14 Toffoli D.,Stredansky M.,Zhijing F.,Balducci G.,Furlan S.,Stener M., et al., Electronic properties of the boroxine–gold interface: evidence of ultra-fast charge delocalization. "Chemical Science,", 8, (2017), p.3789.
  A.15 Demirtas Merve,TOFFOLİ HANDE,Toffoli Daniele,, ffect of Platinum, Gold, and Potassium Additives on the Surface Chemistry of CdI2-Antitype Mo2C. "ACS OMEGA", 2, (2017), p.7976,.

Conference Papers

  A.1 Mehmet Koç, Sezin Galioglu, Daniele Toffoli, Hande Üstünel, Burcu Akata, Effect of ion-exchange on Structural, Electronic, and Vibrational Properties of the -O-Ti-O-Ti-O- Quantum Wires in ETS-10. "MRS Proceedings", 1704, (2014).
  A.2 Hande Ustunel, Saeed H Abedinpour and B Tanatar, Density functional theory investigation of two-dimensional dipolar fermions in a harmonic trap. "Journal of Physics: Conference Series", 568, (2014), p. 012020.
  A.3 Ozan Dernek, D. Toffoli, H, Ustunel, Density functional theory Investigation of the Ni- and Rhdoped Au(111) surface as a viable catalyst for selective oxidation of ethanol /. "Nano2016 Kanada", (2016).

Book and Chapter in a Book

  A.1 Hande Toffoli, Sakir Erkoc, Daniele Toffoli, Modeling of Nanostructures. "Handbook of Computational Chemistry", I, (2012), p.49.

Publications (NATIONAL)

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