Hande Toffoli

E-mail
ustunel@metu.edu.tr
Department
Department of Physics
Scopus Author ID
Web of Science Researcher ID
Metan Pirolizinde Eriyik Metal Katalizörleri’nin İlk Prensipler ile Teorik Olarak Modellenmesi ve Katalitik Aktivitelerinin Karşılaştırması
Erbasan, Arda; Sökmen, Uğur; Eroğlu, Esra; Mutlu, Rasiha Nefise; Çelik, Gökhan; Toffoli, Hande; Gökalp, İskender; Kardaş, Gülfeza (2022-12-16)
Metan Pirolizinde Eriyik Metal Alaşımlarla Turkuaz Hidrojen Eldesi
Sökmen, Uğur; Çelik, Gökhan; Erbasan, Arda; Eroglu, Esra; Toffoli, Hande; Mutlu, Rasiha Nefise; Gökalp, İskender; Kardaş, Gülfeza (2022-12-01)
Designing and Comparing the Catalytic Activity of Molten Metal Catalysts for Methane Pyrolysis
Erbasan, A; Sökmen, Uğur; Eroğlu, E; Mutlu, Rasiha Nefise; Çelik, Gökhan; Toffoli, Hande; Gökalp, İskender; Kardaş, Gülfeza (2022-12-01)
Temperature-dependent thermoelastic properties of GaSb and InSb semiconductors: Identification through ab initio DFT simulations
Baloğlu, Eyüp Can; Toffoli, Hande; Dal, Hüsnü (2022-10-15)
© 2022 Elsevier B.V.III–V semiconductors are extensively used in infrared sensor applications due to their superior structural and optical properties. Due to the extremes in the manufacturing and operating temperatures of ...
A. Erbasan Et Al. , "Metan Pirolizinde Eriyik Metal Katalizörleri’nin İlk Prensipler ile Teorik Olarak Modellenmesi ve Katalitik Aktivitelerinin Karşılaştırması," 27. Yoğun Madde Fiziği Ankara Toplantısı (YMF-27) , Ankara, Turkey, pp.1, 2022
Erbasan, Arda; Sökmen, Uğur; Eroglu, Esra; Mutlu, Rasiha Nefise; Çelik, Gökhan; Toffoli, Hande; Gökalp, İskender; Kardaş, Gülfeza (2022-09-08)
Tribology at the atomic scale with density functional theory
Toffoli, Hande; Toffoli, Daniele (2022-06-01)
© 2022 IOP Publishing Ltd.Understanding the quantum mechanical origins of friction forces has become increasingly important in the past decades with the advent of nanotechnology. At the nanometer scale, the universal Amont...
Polymer interfaces with carbon nanostructures: First principles density functional theory and molecular dynamics study of polyetheretherketone adsorption on graphene and nanotubes
Toraman, Gozdenur; Sert, Elif; Gulasik, Hasan; Toffolı, Danıele; Toffoli, Hande; Gürses, Ercan (2021-04-01)
The interface of polyetheretherketone (PEEK) with carbon nanotubes (CNTs) and graphene is investigated using density functional theory and molecular dynamics within the REAXFF-lg interatomic interaction framework. The depe...
Formaldehyde Selectivity in Methanol Partial Oxidation on Silver: Effect of Reactive Oxygen Species, Surface Reconstruction, and Stability of Intermediates
Karatok, Mustafa; Şensoy, Mehmet Gökhan; Vovk, Evgeny I.; Toffoli, Hande; Toffoli, Daniele; Ozensoy, Emrah (2021-01-01)
Selective oxidation reactions on heterogeneous silver catalysts are essential for the mass production of numerous industrial commodity chemicals. However, the nature of active oxygen species in such reactions is still deba...
Methylamine terminated molecules on Ni(111): A path to low temperature synthesis of nitrogen-doped graphene
Costantini, Roberto; Toffoli, Hande; Feng, Zhijing; Stredansky, Matus; Toffoli, Daniele; Fronzoni, Giovanna; Dri, Carlo; Comelli, Giovanni; Cvetko, Dean; Kladnik, Gregor; Bavdek, Gregor; Floreano, Luca; Morgante, Alberto; Cossaro, Albano (2020-11-01)
The thermal treatment of a monolayer of 1-naphthylmethylamine (NMA) on Ni(1 1 1) surface reveals a complex chemistry promoted by the high surface reactivity. Both the amino-terminated functional group and the naphthalene b...
First-principles investigation of CO and CO2 adsorption on gamma-Al2O3 supported monoatomic and diatomic Pt clusters
Sensoy, Mehmet Gokhan; Toffoli, Hande; Toffolı, Danıele (Elsevier BV, 2020-01-01)
Supported clusters of transition metal atoms are key components of heterogeneous catalysts. Understanding their interaction with small molecular species is therefore an important step in catalyst design. In this work, we p...
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