Hande Toffoli

E-mail

ustunel@metu.edu.tr

Department

Department of Physics

ORCID

0000-0003-0307-9036

Scopus Author ID

57164840400

Web of Science Researcher ID

A-3579-2016

Effect of Surface Pt Doping on the Reactivity of Au(111) Surfaces towards Methanol Dehydrogenation: A First-Principles Density Functional Theory Investigation Toffoli, Hande; Toffoli, Daniele (2023-12-01) The surprisingly high catalytic activity of gold has been known to the heterogeneous catalysis community since the mid-1980s. Significant efforts have been directed towards improving the reactivity of these surfaces toward...
Hydrogen production using aluminum-water splitting: A combined experimental and theoretical approach Jayaraman, Kandasamy; Mutlu, Rasiha Nefise; Eroğlu, Esra; Karaca, Mehmet; Toffoli, Hande; Gökalp, İskender (2023-01-01) Hydrogen generation from aluminum hydrolysis with NaOH as an activator is investigated experimentally. A theoretical model is developed using the Density Functional Theory (DFT) and a one-dimensional transport model formal...
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 ...
Metan Pirolizinde Eriyik Metal Katalizörleri’nin İlk Prensipler ile Teorik Olarak Modellenmesi ve Katalitik Aktivitelerinin Karşılaştırması 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...

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