Metrikler
Yayın
38
Açık Erişim
9
BM Sürdürülebilir Kalkınma Amaçları
Yönetilen Tezler
2011
2011Yüksek Lisans
Nox indirgeme/Depolama katalizörlerinde asal metallerin indirgeme ajanı olarak y-Al2O3 üzerinde yük yoğunluğu teorisi ile incelenmesi.
TOFFOLI D. (Eş Danışman), TOFFOLİ H. (Eş Danışman)
Z.Artuç(Öğrenci)
Makaleler
Tümü (38)
SCI-E, SSCI, AHCI (38)
SCI-E, SSCI, AHCI, ESCI (38)
Scopus (38)
2025
20251. Hydrolysis of Al for hydrogen production: A joint experimental and first-principles density functional theory investigation
Mutlu R. N., EROĞLU E., TOFFOLİ H., Toffoli D., Kandasamy J., KARACA M., et al.
Applied Energy
, cilt.401, 2025 (SCI-Expanded, Scopus)
2024
20242. 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
, cilt.176, 2024 (SCI-Expanded, Scopus)
2024
20243. 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
, cilt.30, sa.47, 2024 (SCI-Expanded, Scopus)
2024
20244. 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
, cilt.7, sa.8, ss.3220-3233, 2024 (SCI-Expanded, Scopus)
2024
20245. 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
, cilt.12, sa.2, 2024 (SCI-Expanded, Scopus)
2021
20216. 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
, cilt.191, 2021 (SCI-Expanded, Scopus)
2020
20207. 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
, cilt.499, 2020 (SCI-Expanded, Scopus)
2019
20198. 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
, cilt.123, sa.46, ss.28411-28418, 2019 (SCI-Expanded, Scopus)
2019
20199. 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
, cilt.480, ss.1063-1069, 2019 (SCI-Expanded, Scopus)
2018
201810. 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
, cilt.122, sa.34, ss.19678-19686, 2018 (SCI-Expanded, Scopus)
2017
201711. Effect of Platinum, Gold, and Potassium Additives on the Surface Chemistry of CdI2-Antitype Mo2C
Dernirtas M., Ustunel H., Toffoli D.
ACS OMEGA
, cilt.2, sa.11, ss.7976-7984, 2017 (SCI-Expanded, Scopus)
2017
201712. Electronic properties of the boroxine-gold interface: evidence of ultra-fast charge delocalization
Toffoli D., Stredansky M., Feng Z., Balducci G., Furlan S., Stener M., et al.
CHEMICAL SCIENCE
, cilt.8, sa.5, ss.3789-3798, 2017 (SCI-Expanded, Scopus)
2017
201713. Structural and electronic properties of bulk and low-index surfaces of zincblende PtC
Sensoy M. G., Toffoli D., TOFFOLİ H.
JOURNAL OF PHYSICS-CONDENSED MATTER
, cilt.29, sa.12, 2017 (SCI-Expanded, Scopus)
2016
201614. 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
, cilt.59, ss.1383-1393, 2016 (SCI-Expanded, Scopus)
2016
201615. 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
, cilt.16, ss.1942-1948, 2016 (SCI-Expanded, Scopus)
2015
201516. Active role of the support in NOx storage and reductioncatalytic systems
Tek M., TOFFOLİ H., Toffoli D.
APPLIED SURFACE SCIENCE
, cilt.355, ss.1295-1305, 2015 (SCI-Expanded, Scopus)
2015
201517. Covalent and noncovalent functionalization of pristine and defective graphene by cyclohexane and dehydrogenated derivatives
Sayin C. S., Toffoli D., TOFFOLİ H.
APPLIED SURFACE SCIENCE
, cilt.351, ss.344-352, 2015 (SCI-Expanded, Scopus)
2014
201418. 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
, cilt.118, sa.47, ss.27281-27291, 2014 (SCI-Expanded, Scopus)
2014
201419. 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
, cilt.118, sa.39, ss.22522-22532, 2014 (SCI-Expanded, Scopus)
2014
201420. Electrochromic properties of multicolored novel polymer synthesized via combination of benzotriazole and N-functionalized 2,5-di(2-thienyl)-1H-pyrrole units
Rende E., Kilic C. E., Udum Y. A., Toffoli D., TOPPARE L. K.
ELECTROCHIMICA ACTA
, cilt.138, ss.454-463, 2014 (SCI-Expanded, Scopus)
2014
201421. Insights into surface-adsorbate interactions in corrosion inhibition processes at the molecular level
ÖZCAN M., Toffoli D., Ustunel H., DEHRİ İ.
CORROSION SCIENCE
, cilt.80, ss.482-486, 2014 (SCI-Expanded, Scopus)
2014
201422. Ab initio potential energy and dipole moment surfaces of the F-(H2O) complex
Kamarchik E., Toffoli D., Christiansen O., Bowman J. M.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
, cilt.119, ss.59-62, 2014 (SCI-Expanded, Scopus)
2014
201423. 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
, cilt.4, sa.89, ss.48492-48506, 2014 (SCI-Expanded, Scopus)
2013
201324. Multiphoton core ionization dynamics of polyatomic molecules
Toffoli D., Decleva P.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
, cilt.46, sa.14, 2013 (SCI-Expanded, Scopus)
2013
201325. Further investigation of intramolecular H-bonding in benzimidazole and EDOT containing monomer
Nurioglu A. G., Akpinar H., Kanik F. E., Toffoli D., TOPPARE L. K.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
, cilt.693, ss.23-27, 2013 (SCI-Expanded, Scopus)
2012
201226. Density functional theory for molecular multiphoton ionization in the perturbative regime
Toffoli D., Decleva P.
JOURNAL OF CHEMICAL PHYSICS
, cilt.137, sa.13, 2012 (SCI-Expanded, Scopus)
2012
201227. 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
, cilt.116, sa.10, ss.6191-6199, 2012 (SCI-Expanded, Scopus)
2011
201128. Computational characterization of the HOMO-2 photoemission intensity oscillations in C-60
Toffoli D., Stener M., Fronzoni G., Decleva P.
CHEMICAL PHYSICS LETTERS
, cilt.516, ss.154-157, 2011 (SCI-Expanded, Scopus)
2011
201129. Vibrational spectroscopy of hydrogen-bonded systems: Six-dimensional simulation of the IR spectrum of F-(H2O) complex
Toffoli D., Sparta M., Christiansen O.
CHEMICAL PHYSICS LETTERS
, cilt.510, ss.36-41, 2011 (SCI-Expanded, Scopus)
2011
201130. Accurate multimode vibrational calculations using a B-spline basis: theory, tests and application to dioxirane and diazirinone
Toffoli D., Sparta M., Christiansen O.
MOLECULAR PHYSICS
, cilt.109, sa.5, ss.673-685, 2011 (SCI-Expanded, Scopus)
2011
201131. The valence electronic structure and conformational flexibility of epichlorohydrin
Stranges S., Alagia M., Decleva P., Stener M., Fronzoni G., Toffoli D., et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
, cilt.13, sa.27, ss.12517-12528, 2011 (SCI-Expanded, Scopus)
2010
201032. Using Electronic Energy Derivative Information in Automated Potential Energy Surface Construction for Vibrational Calculations
Sparta M., Hansen M. B., Matito E., Toffoli D., Christiansen O.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
, cilt.6, sa.10, ss.3162-3175, 2010 (SCI-Expanded, Scopus)
2010
201033. Strong oscillations in the nondipole corrections to the photoelectron angular distributions from C-60
Toffoli D., Decleva P.
PHYSICAL REVIEW A
, cilt.81, sa.6, 2010 (SCI-Expanded, Scopus)
2010
201034. Vibrational absorption spectra calculated from vibrational configuration interaction response theory using the Lanczos method
Seidler P., Hansen M. B., Gyorffy W., Toffoli D., Christiansen O.
JOURNAL OF CHEMICAL PHYSICS
, cilt.132, sa.16, 2010 (SCI-Expanded, Scopus)
2010
201035. New Formulation and Implementation of Vibrational Self-Consistent Field Theory
Hansen M. B., Sparta M., Seidler P., Toffoli D., Christiansen O.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
, cilt.6, sa.1, ss.235-248, 2010 (SCI-Expanded, Scopus)
2009
200936. Potential Energy Surfaces for Vibrational Structure Calculations from a Multiresolution Adaptive Density-Guided Approach: Implementation and Test Calculations
Sparta M., Hoyvik I., Toffoli D., Christiansen O.
JOURNAL OF PHYSICAL CHEMISTRY A
, cilt.113, sa.30, ss.8712-8723, 2009 (SCI-Expanded, Scopus)
2009
200937. A hierarchy of potential energy surfaces constructed from energies and energy derivatives calculated on grids
Matito E., Toffoli D., Christiansen O.
JOURNAL OF CHEMICAL PHYSICS
, cilt.130, sa.13, 2009 (SCI-Expanded, Scopus)
2008
200838. Nondipolar effects in the photoionization dynamics of carbon tetrafluoride
Toffoli D., Decleva P.
PHYSICAL REVIEW A
, cilt.78, sa.6, 2008 (SCI-Expanded, Scopus)
Desteklenen Projeler
2012 - Devam Ediyor
2012 - Devam EdiyorNox İndirgeme / Depolama Döngüsünde Kullanılan Katalizörlerinin İşleyiş Prensiblerinin Araştırılması Ve Verimlerin Arttırılması.
Yükseköğretim Kurumları Destekli Proje , BAP Araştırma Projesi
TOFFOLI D. (Yürütücü)
2014 - 2014
2014 - 2014FEN BİLİMLERİ ENSTİTÜSÜ/LİSANSÜSTÜ TEZ PROJESİ
Yükseköğretim Kurumları Destekli Proje , BAP Diğer
TOFFOLI D. (Yürütücü)
2014 - 2014
2014 - 2014FEN BİLİMLERİ ENSTİTÜSÜ/LİSANSÜSTÜ TEZ PROJESİ
Yükseköğretim Kurumları Destekli Proje , BAP Diğer
TOFFOLI D. (Yürütücü)
2013 - 2013
2013 - 2013SU-GAZ DEĞİŞİMİ REAKSİYONUNDA ALTTAŞ MALZEMENİN ETKİSİNİN YÜK YOĞUNLUĞU FONKSİYONELİ KULLANILARAK İNCELENMESİ TİO2 DESTEKLİ BaO KÜMELERİNİN deNOx KATALİZ SİSTEMLERİNDE PERFORMANSLARININ YÜK YOĞUNLUĞU FONKSİYONELİ KULLANILARAK İNCELENMESİ
Yükseköğretim Kurumları Destekli Proje , BAP Diğer
TOFFOLI D. (Yürütücü), KİBAR S.
2013 - 2013
2013 - 2013EGZOST GAZLARINDA BULUNAN NOx MOLEKÜLLERİNİN İNDİRGEME/DEPOLAMA DÖNGÜSÜNDE KULLANILAN KATALİZÖRLERİNİN VERİMLERİNİN ARTIRILMASI
Yükseköğretim Kurumları Destekli Proje , BAP Diğer
TOFFOLI D. (Yürütücü), ÖNAL A. M., ESENTÜRK O., DANIŞMAN M. F., HACALOĞLU J.
2009 - 2009
2009 - 2009Kuantum Moleküler Dinamiği, Elektron-Molekül Saçılımı Ve Moleküler Fotoiyonlaşma Konularında Yeni Ve Verimli Algoritmalar
Yükseköğretim Kurumları Destekli Proje , BAP Diğer
TOFFOLI D. (Yürütücü)