Assoc. Prof. HANDE TOFFOLİ

Publication Network

Published journal articles indexed by SCI, SSCI, and AHCI

Development of a selective wet-chemical etchant for precise 3D sculpting of silicon enabled by infrared non-linear laser modification

Zolfaghari Borra M., Radfar B., Nasser H., Çolakoğlu T., Tokel O., Turnalı A., et al.

Optics and Laser Technology , vol.176, 2024 (SCI-Expanded)

Oxygen-Promoted on-Surface Synthesis of Polyboroxine Molecules

Toffoli D., Turco E., Stredansky M., Costantini R., Dell'Angela M., Floreano L., et al.

Chemistry - A European Journal , vol.30, no.47, 2024 (SCI-Expanded)

Insights into Reaction Mechanisms in Liquid Metals from Density Functional Theory: CH4 Pyrolysis in BiNiX (X = Cu, Al) Molten Metals as a Case Study

Erbasan A., TOFFOLİ H., Toffoli D., GÖKALP İ., KARDAŞ G., ÇELİK G.

ACS Applied Energy Materials , vol.7, no.8, pp.3220-3233, 2024 (SCI-Expanded)

A Classical Molecular Dynamics Study of the Effect of the Atomic Force Microscope Tip Shape, Size and Deformation on the Tribological Properties of the Graphene/Au(111) Interface

Maden C., TOFFOLİ H., Toffoli D.

Lubricants , vol.12, no.2, 2024 (SCI-Expanded)

Hydrogen production using aluminum-water splitting: A combined experimental and theoretical approach

Kandasamy J., Mutlu R. N., Eroğlu E., KARACA M., TOFFOLİ H., GÖKALP İ.

International Journal of Hydrogen Energy , vol.52, pp.202-211, 2024 (SCI-Expanded)

Effect of Surface Pt Doping on the Reactivity of Au(111) Surfaces towards Methanol Dehydrogenation: A First-Principles Density Functional Theory Investigation

Demirtas M., TOFFOLİ H., Toffoli D.

Molecules , vol.28, no.23, 2023 (SCI-Expanded)

Temperature-dependent thermoelastic properties of GaSb and InSb semiconductors: Identification through ab initio DFT simulations

Baloğlu E. C., TOFFOLİ H., DAL H.

Physica B: Condensed Matter , vol.643, 2022 (SCI-Expanded)

Formaldehyde Selectivity in Methanol Partial Oxidation on Silver: Effect of Reactive Oxygen Species, Surface Reconstruction, and Stability of Intermediates

Karatok M., ŞENSOY M. G., Vovk E. I., TOFFOLİ H., Toffoli D., Ozensoy E.

ACS Catalysis , vol.11, no.10, pp.6200-6209, 2021 (SCI-Expanded)

Polymer interfaces with carbon nanostructures: First principles density functional theory and molecular dynamics study of polyetheretherketone adsorption on graphene and nanotubes

Toraman G., Sert E., Gulasik H., Toffoli D., TOFFOLİ H., GÜRSES E.

COMPUTATIONAL MATERIALS SCIENCE , vol.191, 2021 (SCI-Expanded)

Methylamine terminated molecules on Ni(111): A path to low temperature synthesis of nitrogen-doped graphene

Costantini R., TOFFOLİ H., Feng Z., Stredansky M., Toffoli D., Fronzoni G., et al.

FLATCHEM , vol.24, 2020 (SCI-Expanded) Sustainable Development

First-principles investigation of CO and CO2 adsorption on gamma-Al2O3 supported monoatomic and diatomic Pt clusters

Sensoy M. G., Ustunel H., Toffoli D.

APPLIED SURFACE SCIENCE , vol.499, 2020 (SCI-Expanded) Sustainable Development

Nanotribological Properties of the h-BN/Au(111) Interface: A DFT Study

Baksi M., Toffoli D., GÜLSEREN O., Ustunel H.

JOURNAL OF PHYSICAL CHEMISTRY C , vol.123, no.46, pp.28411-28418, 2019 (SCI-Expanded)

Combined effect of point defects and layer number on the adsorption of benzene and toluene on graphene

Akay T. I., Toffoli D., TOFFOLİ H.

APPLIED SURFACE SCIENCE , vol.480, pp.1063-1069, 2019 (SCI-Expanded)

Instability of a Noncrystalline NaO2 Film in Na-O-2 Batteries: The Controversial Effect of the RuO2 Catalyst

Tovini M. F., Hong M., Park J., Demirtas M., Toffoli D., Ustunel H., et al.

JOURNAL OF PHYSICAL CHEMISTRY C , vol.122, no.34, pp.19678-19686, 2018 (SCI-Expanded)

Effect of Platinum, Gold, and Potassium Additives on the Surface Chemistry of CdI2-Antitype Mo2C

Dernirtas M., Ustunel H., Toffoli D.

ACS OMEGA , vol.2, no.11, pp.7976-7984, 2017 (SCI-Expanded)

Comparative Analysis of Reactant and Product Adsorption Energies in the Selective Oxidative Coupling of Alcohols to Esters on Au(111)

Senozan S., TOFFOLİ H., Karatok M., Vovk E. I., Shah A. A., ÖZENSOY E., et al.

TOPICS IN CATALYSIS , vol.59, pp.1383-1393, 2016 (SCI-Expanded)

Multiscale Self-Assembly of Silicon Quantum Dots into an Anisotropic Three-Dimensional Random Network

İlday S. K., İlday F. Ö., Huebner R., Prosa T. J., Martin I., Nogay G., et al.

NANO LETTERS , vol.16, pp.1942-1948, 2016 (SCI-Expanded)

Active role of the support in NOx storage and reductioncatalytic systems

Tek M., TOFFOLİ H., Toffoli D.

APPLIED SURFACE SCIENCE , vol.355, pp.1295-1305, 2015 (SCI-Expanded)

Covalent and noncovalent functionalization of pristine and defective graphene by cyclohexane and dehydrogenated derivatives

Sayin C. S., Toffoli D., TOFFOLİ H.

APPLIED SURFACE SCIENCE , vol.351, pp.344-352, 2015 (SCI-Expanded)

Understanding the Effects of Ion-Exchange in Titanosilicate ETS-10: A Joint Theoretical and Experimental Study

Koc M., Galioglu S., Toffoli D., TOFFOLİ H., AKATA KURÇ B.

JOURNAL OF PHYSICAL CHEMISTRY C , vol.118, no.47, pp.27281-27291, 2014 (SCI-Expanded)

Bis(triisopropylsilylethynyl)pentacene/Au(111) Interface: Coupling, Molecular Orientation, and Thermal Stability

Gnoli A., Ustunel H., TOFFOLI D., Yu L., Catone D., Turchini S., et al.

JOURNAL OF PHYSICAL CHEMISTRY C , vol.118, no.39, pp.22522-22532, 2014 (SCI-Expanded)

Insights into surface-adsorbate interactions in corrosion inhibition processes at the molecular level

ÖZCAN M., Toffoli D., Ustunel H., DEHRİ İ.

CORROSION SCIENCE , vol.80, pp.482-486, 2014 (SCI-Expanded)

First principles investigation of NO2 and SO2 adsorption on gamma-Al2O3 supported mono- and diatomic metal clusters

Artuc Z., Ustunel H., Toffoli D.

RSC ADVANCES , vol.4, no.89, pp.48492-48506, 2014 (SCI-Expanded)

First-Principles Investigation of NOx and SOx Adsorption on Anatase-Supported BaO and Pt Overlayers

Hummatov R., GÜLSEREN O., ÖZENSOY E., Toffoli D., TOFFOLİ H.

JOURNAL OF PHYSICAL CHEMISTRY C , vol.116, no.10, pp.6191-6199, 2012 (SCI-Expanded)

Metallization of the C-60/Rh(100) interface revealed by valence photoelectron spectroscopy and density functional theory calculations

Wade A., Lizzit S., Petaccia L., Goldoni A., Diop D., Ustunel H., et al.

JOURNAL OF CHEMICAL PHYSICS , vol.132, no.23, 2010 (SCI-Expanded)

The self-consistent calculation of exchange enhanced odd integer quantized Hall plateaus within Thomas-Fermi-Dirac approximation

Bilgec G., TOFFOLİ H., Siddiki A., SÖKMEN İ.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES , vol.42, no.4, pp.1058-1061, 2010 (SCI-Expanded)

Structural, Electronic and Magnetic Properties of BN Nanotubes Doped with Mn and Cr: Exploring the Potential for Device Technology

KÖKTEN H., Ustunel H., ERKOÇ Ş.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , vol.6, no.4, pp.926-932, 2009 (SCI-Expanded)

High-capacity hydrogen storage by metallized graphene

Ataca C., Akturk E., ÇIRACI S., Ustunel H.

APPLIED PHYSICS LETTERS , vol.93, no.4, 2008 (SCI-Expanded)

Structural properties and stability of nanoclusters

Ustuenel H., Erkoc S.

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , vol.4, no.5, pp.928-956, 2007 (SCI-Expanded)

Defect-controlled transport properties of metallic atoms along carbon nanotube surfaces

Barinov A., Uestuenel H., Fabris S., Gregoratti L., Aballe L., Dudin P., et al.

PHYSICAL REVIEW LETTERS , vol.99, no.4, 2007 (SCI-Expanded)

Modeling a suspended nanotube oscillator

Ustunel H., Roundy D., Arias T.

NANO LETTERS , vol.5, no.3, pp.523-526, 2005 (SCI-Expanded)

Ab initio mechanical response: Internal friction and structure of divacancies in silicon

Ustunel H., Roundy D., Arias T.

PHYSICAL REVIEW LETTERS , vol.94, no.2, 2005 (SCI-Expanded)

A tunable carbon nanotube electromechanical oscillator

Sazonova V., Yaish Y., Ustunel H., Roundy D., Arias T., McEuen P.

NATURE , vol.431, no.7006, pp.284-287, 2004 (SCI-Expanded)

Electron-phonon scattering in metallic single-walled carbon nanotubes

Park J., Rosenblatt S., Yaish Y., Sazonova V., Ustunel H., Braig S., et al.

NANO LETTERS , vol.4, no.3, pp.517-520, 2004 (SCI-Expanded)

Articles Published in Other Journals

Tribology at the atomic scale with density functional theory

TOFFOLİ H., Toffoli D.

Electronic Structure , vol.4, no.2, 2022 (ESCI)

Refereed Congress / Symposium Publications in Proceedings

NiX (X: Al, Bi, Cu, Ga, In, Sn, Zn, Zr) İkili Metal Alaşımları Kullanılarak Metan Gazından H2 Gazı Eldesinin DFT Metodu ile İncelenmesi

Eroğlu E., TOFFOLİ H., Erbasan A., Tosun S. M., Öğrence Ç., Sökmen U., et al.

Yoğun Madde Fiziği (YMF28) – Ankara Toplantısı, Ankara, Turkey, 22 December 2023

Düzensiz Ortamlarda Reaksiyon Dinamiği Teorisi: BiNiX Üçlü Metal Alaşımları Kullanılarak CH4 gazından H2 eldesi

TOFFOLİ H., Erbasan A., Sökmen U., Eroğlu E., Mutlu R. N., KARDAŞ G., et al.

X. Yoğun Madde Fiziği - İzmir Toplantısı, İzmir, Turkey, 28 April 2023

Altın ve Grafen Yüzeyleri Arasındaki Etkileşimin Yük Yoğunluğu Fonksiyoneli Teorisi Kullanılarak İncelenmesi

Şentürk D. G., TOFFOLİ H.

Yoğun Madde Fiziği, Turkey, 22 December 2017

Ethanol dehydrogenation on the Ni-and Rh-doped Au(111) surface

Dernek O., TOFFOLİ H.

Yoğun Madde Fiziği, Turkey, 22 December 2017

A comparative study of the polymer-nanotube interface through a reactive force field and density functional theory

Toffoli H., Gürses E., Gülaşık H., Konuk M., Sert E., Toraman G.

International Symposium on Chemistry via Computation, Ankara, Turkey, 30 October 2017

Molecular Dynamics Simulations of Carbon Nanotube Reinforced Polymer Composites

Toraman G., Konuk M., Sert E., Toffoli H., Gülaşık H., Gürses E.

9th Ankara International Aerospace Conference, Ankara, Turkey, 20 - 22 September 2017

Multi-Scale Modelling of Carbon Nanotube Reinforced Polymer Composites

Toraman G., Konuk M., Gülaşık H., Sert E., Toffoli H., Gürses E.

Materials Resistant to Extreme Conditions for Future Energy Systems, Kyyiv, Ukraine, 12 - 14 June 2017

Alkollerin Seçici Oksidasyonu için Nümerik Malzeme Bilimiile Katalizör Tasarımı

TOFFOLİ H.

Yoğun Madde Fiziği Toplantısı, Turkey, 16 December 2016

Density functional theory Investigation of the Ni and RhdopedAu 111 surface as a viable catalyst for selective oxidation ofethanol

Dernek O., Toffoli D., TOFFOLİ H.

Nano2016, 7 - 12 August 2016

Application of density functional theory methods to two dimensional harmonically confined dipolar atoms

TOFFOLİ H.

İstanbul Teknik Üniversitesi, 23 - 14 June 2016

Performance of Mo2C as a catalyst for the water gas shift reaction a DFT investigation

Toffoli D., DEMİRTAŞ M., ÜSTÜNEL H.

Nano TR 11 Ankara 2015, Ankara, Turkey, 22 - 25 June 2015

Active Role of the Support in NOx Storage and Reduction Systems

TEK M., Toffoli D., Üstünel H.

NanoTR 11, 22 - 23 June 2015

Methanol Dehydrogenation on bare and atomic oxygen pre covered Au 111 and Ag doped Au 111 surfaces

Selma Ş., Üstünel H., Toffoli D.

NanoTR11, 22 - 26 June 2015

Density Functional Theory Investigation of the Structural Electronic and Adsorption Properties of 100 110 111 surfaces of Zincblende PtC

ŞENSOY M. G., Üstünel H., Toffoli D.

NanoTR 11, 22 - 25 June 2015

Density functional theory investigation of two-dimensional dipolar fermions in a harmonic trap

TOFFOLİ H., Abedinpour S. H., TANATAR B.

27th International Conference on Low Temperature Physics (LT), Buenos Aires, Argentina, 6 - 13 August 2014, vol.568

HEGZAGONAL BN/AU(111) YÜZEYLERİ ARASINDAKİ NANOTRİBOLOJİK ÖZELLİKLERİN AB INITIO HESAPLAR İLE İNCELENMESİ

Baksi M., GÜLSEREN O., TOFFOLİ H.

Yoğun Madde Fiziği 23, Turkey, 22 December 2017

Kataliz ve Cihaz Teknolojisinde Kullanılmak Üzere Grafenin KovalentOlmayan Şekilde İşlevselleştirilmesi için YFT Çalışması

Akay T. İ., TOFFOLİ H., Toffoli D.

Yoğun Madde Fiziği 23, Turkey, 22 December 2017

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