Yayınlar & Eserler

Yayın Ağı
Makaleler 37
Tümü (37)
SCI-E, SSCI, AHCI (35)
SCI-E, SSCI, AHCI, ESCI (36)
ESCI (1)
Scopus (37)
TRDizin (1)

1. 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) identifier

2. Self-Assembled Superacid Monolayers on c-Si Provide Exceptional Surface Passivation and Low Contact Resistivity

Ghasemi M., Maden C., Bektaş G., Tsoi K., GÜNBAŞ E. G., TOFFOLİ H., et al.
Solar RRL , cilt.9, sa.14, 2025 (SCI-Expanded, Scopus) identifier

3. 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) identifier identifier identifier

4. 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) identifier identifier

5. 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) Creative Commons License identifier identifier

6. 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 , cilt.52, ss.202-211, 2024 (SCI-Expanded, Scopus) identifier identifier

7. 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 , cilt.28, sa.23, 2023 (SCI-Expanded, Scopus) identifier identifier identifier

8. Yoğunluk Fonksiyonel Teorisi Kullanılarak Bor Yüzeylerinin Suyla Etkileşiminin Araştırılması

EROĞLU E., TOFFOLİ H., MUTLU R. N., KARACA M., Kandasamy J., Gokalp I.
BOR DERGİSİ , cilt.8, sa.1, ss.25-31, 2023 (Scopus, TRDizin) identifier identifier

9. 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 , cilt.643, 2022 (SCI-Expanded, Scopus) identifier identifier

10. Tribology at the atomic scale with density functional theory

TOFFOLİ H., Toffoli D.
Electronic Structure , cilt.4, sa.2, 2022 (ESCI, Scopus) identifier identifier

11. 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 , cilt.11, sa.10, ss.6200-6209, 2021 (SCI-Expanded, Scopus) identifier identifier

12. 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) identifier identifier

13. 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 , cilt.24, 2020 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma identifier identifier

14. 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) Sürdürülebilir Kalkınma identifier identifier

15. 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) Creative Commons License identifier identifier

16. 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) identifier identifier

17. 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) Creative Commons License identifier identifier

18. 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) identifier identifier identifier

19. 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) Creative Commons License identifier identifier

20. 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) Creative Commons License identifier identifier

21. 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) identifier identifier

22. 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) identifier identifier

23. 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) identifier identifier

24. 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) identifier identifier

25. 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) identifier identifier

26. 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) identifier identifier

27. 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) Creative Commons License identifier identifier

28. 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 , cilt.132, sa.23, 2010 (SCI-Expanded, Scopus) identifier identifier identifier

29. 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 , cilt.42, sa.4, ss.1058-1061, 2010 (SCI-Expanded, Scopus) Creative Commons License identifier identifier

30. 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 , cilt.6, sa.4, ss.926-932, 2009 (SCI-Expanded, Scopus) identifier identifier

31. High-capacity hydrogen storage by metallized graphene

Ataca C., Akturk E., ÇIRACI S., Ustunel H.
APPLIED PHYSICS LETTERS , cilt.93, sa.4, 2008 (SCI-Expanded, Scopus) Creative Commons License identifier identifier

32. Structural properties and stability of nanoclusters

Ustuenel H., Erkoc S.
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE , cilt.4, sa.5, ss.928-956, 2007 (SCI-Expanded, Scopus) identifier identifier

33. 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 , cilt.99, sa.4, 2007 (SCI-Expanded, Scopus) identifier identifier identifier

34. Modeling a suspended nanotube oscillator

Ustunel H., Roundy D., Arias T.
NANO LETTERS , cilt.5, sa.3, ss.523-526, 2005 (SCI-Expanded, Scopus) identifier identifier identifier

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

Ustunel H., Roundy D., Arias T.
PHYSICAL REVIEW LETTERS , cilt.94, sa.2, 2005 (SCI-Expanded, Scopus) identifier identifier identifier

36. A tunable carbon nanotube electromechanical oscillator

Sazonova V., Yaish Y., Ustunel H., Roundy D., Arias T., McEuen P.
NATURE , cilt.431, sa.7006, ss.284-287, 2004 (SCI-Expanded, Scopus) identifier identifier identifier

37. 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 , cilt.4, sa.3, ss.517-520, 2004 (SCI-Expanded, Scopus) identifier identifier
Hakemli Bilimsel Toplantılarda Yayımlanmış Bildiriler 18

1. Insights Into Reaction Mechanisms in Liquid Metals From DFT: Methane Pyrolysis in BiNiX (X=Cu, Al) Molten Metals

Erbasan A., Toffoli H., Toffolı D., Gökalp İ., Kardaş G., Çelik G.
18th Nanoscience and Nanotechnology Conference, İstanbul, Türkiye, 26 - 28 Ağustos 2024, (Özet Bildiri)

2. 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, Türkiye, 22 Aralık 2023, (Özet Bildiri)

3. 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, Türkiye, 28 Nisan 2023, (Özet Bildiri)

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

Şentürk D. G., TOFFOLİ H.
Yoğun Madde Fiziği, Türkiye, 22 Aralık 2017, (Özet Bildiri)

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

Dernek O., TOFFOLİ H.
Yoğun Madde Fiziği, Türkiye, 22 Aralık 2017, (Özet Bildiri)

6. 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, Türkiye, 30 Ekim 2017, (Özet Bildiri)

7. 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, Türkiye, 20 - 22 Eylül 2017, (Tam Metin Bildiri)

8. 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, Ukrayna, 12 - 14 Haziran 2017, (Özet Bildiri)

9. Alkollerin Seçici Oksidasyonu için Nümerik Malzeme Bilimiile Katalizör Tasarımı

TOFFOLİ H.
Yoğun Madde Fiziği Toplantısı, Türkiye, 16 Aralık 2016, (Özet Bildiri)

10. 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 Ağustos 2016, (Özet Bildiri)

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

TOFFOLİ H.
İstanbul Teknik Üniversitesi, 23 - 14 Haziran 2016, (Özet Bildiri)

12. 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 Haziran 2015, (Özet Bildiri)

13. 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 Haziran 2015, (Özet Bildiri)

14. 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, Türkiye, 22 - 25 Haziran 2015, (Özet Bildiri)

15. Active Role of the Support in NOx Storage and Reduction Systems

TEK M., Toffoli D., Üstünel H.
NanoTR 11, 22 - 23 Haziran 2015, (Özet Bildiri)

16. 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, Arjantin, 6 - 13 Ağustos 2014, cilt.568, (Tam Metin Bildiri) Creative Commons License identifier identifier

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

Akay T. İ., TOFFOLİ H., Toffoli D.
Yoğun Madde Fiziği 23, Türkiye, 22 Aralık 2017, (Özet Bildiri)

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

Baksi M., GÜLSEREN O., TOFFOLİ H.
Yoğun Madde Fiziği 23, Türkiye, 22 Aralık 2017, (Özet Bildiri)
Metrikler

Yayın

63

Yayın (WoS)

41

Yayın (Scopus)

42

Atıf (WoS)

2714

H-İndeks (WoS)

13

Atıf (Scopus)

2826

H-İndeks (Scopus)

12

Atıf (Scholar)

5

H-İndeks (Scholar)

1

Atıf (TrDizin)

1

H-İndeks (TrDizin)

1

Atıf (Diğer Toplam)

1

Proje

22

Tez Danışmanlığı

28

Açık Erişim

31
BM Sürdürülebilir Kalkınma Amaçları