Assoc. Prof. ALİ EMRE GENÇ | AVESİS

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Articles 16

1. Post-combustion carbon dioxide capture: DFT study with the transition metal-doped SiC surface

KÜÇÜK H., GENÇ A. E., Vurucu E. G.

Inorganic Chemistry Communications , vol.188, 2026 (SCI-Expanded, Scopus)

2. Tuning the magnetization by preserving half-metallicity of FeCl2 via embedding transition metal atoms: a DFT study

Journal of scientific reports-A (Online) , no.062, pp.29-39, 2025 (TRDizin)

3. Single atom catalysis perspective to reveal N2 and NRR intermediate adsorption properties on non-benzenoid carbon allotrope: A DFT study

Inorganic Chemistry Communications , vol.178, 2025 (SCI-Expanded, Scopus)

4. Structural, electronic, elastic and optical properties of double spinel MgAlGaO₄: a DFT investigation

Kushwaha A., GÜLER E., ÖZDEMİR A., GENÇ A. E., UĞUR G.

INDIAN JOURNAL OF PHYSICS , vol.98, no.12, pp.4011-4017, 2024 (SCI-Expanded, Scopus)

5. The effect of the chemical bonding environment changes in FeNX: Hydrocarbon adsorption by DFT

KÜÇÜK H., GENÇ A. E.

Inorganic Chemistry Communications , vol.162, 2024 (SCI-Expanded, Scopus)

6. DFT predictions of the electronic, phonon, optical, and thermoelectric characteristics of CaCu₂S₂

GÜLER E., GÜLER M., ÖZDEMİR A., GENÇ A. E., UĞUR G., UĞUR Ş.

MRS COMMUNICATIONS , vol.13, no.6, pp.1320-1325, 2023 (SCI-Expanded, Scopus)

7. Adsorption mechanism of the N2 and NRR intermediates on oxygen modified MnN4-graphene layers - a single atom catalysis perspective

GENÇ A. E., Tranca I.

Physical Chemistry Chemical Physics , vol.25, no.27, pp.18465-18480, 2023 (SCI-Expanded, Scopus)

8. Investigating the electronic, elastic, mechanical, anisotropic, and optical aspects of Sc2RuZ (Z: Al, Ga, and In) full Heusler alloys from the first principles

GÜLER M., UĞUR Ş., GÜLER E., ÖZDEMİR A., Kushwaha A., GENÇ A. E., et al.

PHYSICA B-CONDENSED MATTER , vol.659, 2023 (SCI-Expanded, Scopus)

9. Full potential theoretical investigations for electronic, optical, mechanical, elastic and anisotropic properties of X2Se2C (X = Ta, Nb) compounds

Baaziz H., Ghellab T., Charifi Z., GÜLER M., UĞUR Ş., GÜLER E., et al.

European Physical Journal B , vol.96, no.5, 2023 (SCI-Expanded, Scopus)

10. Ammonia free catalytic reduction of nitric oxide on Ni-embedded graphene nanostructure: A density functional theory investigation

GENÇ A. E., Akça A., KARAMAN C., Camarada M. B., Dragoi E.

Molecular Catalysis , vol.541, 2023 (SCI-Expanded, Scopus)

11. Properties of the double half-heusler alloy ScNbNi2Sn2 with respect to structural, electronic, optical, and thermoelectric aspects

Mekki H., Baaziz H., Charifi Z., Ghellab T., GENÇ A. E., UĞUR Ş., et al.

Solid State Communications , vol.363, 2023 (SCI-Expanded, Scopus)

12. The activation of B-H bonds in borohydride on Cu(100) and Cu (110) surfaces

Akca A., Genc A. E., Kutlu B.

COMPUTATIONAL AND THEORETICAL CHEMISTRY , vol.1203, 2021 (SCI-Expanded, Scopus)

13. Hydrazine decomposition on nickel-embedded graphene

GENÇ A. E., KÜÇÜK H., ALP İ., Akca A.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY , vol.45, no.58, pp.33407-33418, 2020 (SCI-Expanded, Scopus)

14. BH4 dissociation on various metal (111) surfaces: A DFT study

Akca A., Genc A. E., Kutlu B.

APPLIED SURFACE SCIENCE , vol.473, pp.681-692, 2019 (SCI-Expanded, Scopus)

15. The catalytic effect of the Au(111) and Pt(111) surfaces to the sodium borohydride hydrolysis reaction mechanism: A DFT study

Genc A. E., Akca A., KUTLU B.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY , vol.43, no.31, pp.14347-14359, 2018 (SCI-Expanded, Scopus)

16. The estimation of a (kT(C)(p)/J, p) phase diagram for a two-dimensional site-diluted Ising model using a microcanonical algorithm

KUTLU B., GENÇ A. E.

PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS , vol.392, no.3, pp.451-457, 2013 (SCI-Expanded, Scopus)

Papers Presented at Peer-Reviewed Scientific Conferences 20

1. GAS SEPARATION APPLICATIONS ON PORPHYRIN MODIFIED TI-EMBEDDED NON-BENZENOID CARBON ALLOTROPE AS MOF LINKER

Turkish Physical Society–40th International Physics Congress (TPS-40), Muğla, Turkey, 2 - 06 September 2024, (Summary Text)

2. Tuning SO2 Capture Capability of Oxygen Substituted MnN4 Graphene Layer

9th International Conference on Materials Science and Nanotechnology for Next Generation, Ankara, Turkey, 22 - 24 September 2022, (Summary Text)

3. Exploring structure-property relationships for hydrationand carbonation of metal oxides for thermochemical energy storage

Shkatulov A., GENÇ A. E., Tranca I. C.

E-MRS FALL MEETING 2022, VARŞOVA, Poland, 19 - 22 September 2022, (Summary Text)

4. Catch the Heat!

Tranca I., Shkatulov A., GENÇ A. E., KÜÇÜK H., de Boek H., Linder M., et al.

The 19th International Conference on Density Functional Theory and its Applications (DFT2022), Brussels, Belgium, 28 August - 02 September 2022, pp.186, (Summary Text)

5. High-throughput computational screening of oxides for high-temperature energy storage

GENÇ A. E., Shkatulov A., Tranca I. C.

CMD2020GEFES, Madrid, Spain, 31 July - 04 September 2020, (Summary Text)

6. Sodium and Lithium Borohydride Hydrolysis Reactions on Various Single Crystal Gold Surfaces

GENÇ A. E., AKÇA A., KUTLU B.

2nd INTERNATIONAL CONFERENCE ON PHYSICAL CHEMISTRY & FUNCTIONAL MATERIALS, Nevşehir, Turkey, 25 June 2019, pp.153, (Summary Text)

7. Electronic Origin of The AlH4 Dissociation on Various Metal (111) Surfaces: A DFT Study

GENÇ A. E., AKÇA A., KUTLU B.

CPC-XII 12TH CHEMICAL PHYSICS CONGRESS, Karabük, Turkey, 12 - 13 October 2018, pp.53, (Summary Text)

8. Catalytic activity Au(210) surface for sodium and Lithium borohydride hydrolysis reactions: A DFT study.

GENÇ A. E., AKÇA A., KUTLU B.

İnternational Symposium on Chemistry and Computation, İstanbul, Turkey, 30 October 2017, pp.65-66, (Summary Text)

9. Catalytic activity of Au(210) surface for sodium and lithium borohydride hydrolysis reaction: a DFT study

GENÇ A. E., AKÇA A., KUTLU B.

INTERNATIONAL SYMPOSIUM ON CHEMISTRY VIA COMPUTATION, İstanbul, Turkey, 30 October 2017, (Summary Text)

10. Catalitic activity of Pt(111)and Au(111)Surface on sodium borohydride hydrolisis: a dft study

AKÇA A., GENÇ A. E., KUTLU B.

TFD33, Muğla, Turkey, 6 - 10 September 2017, (Summary Text)

11. THE EFFECT CATALYTIC OF PLATINUM SURFACES ON WATER DISSOCIATION REACTION

AKÇA A., GENÇ A. E., KUTLU B.

TURKISH PHYSICAL SOCIETY 33RD INTERNATIONAL PHYSICS CONGRESS, Muğla, Turkey, 6 - 10 September 2017, (Summary Text)

12. CATALYTIC ACTIVITY OF LOW-INDEX Au(111), Au(100) AND Au(110) HIGH-INDEX Au(210) SURFACES FOR SODIUM BOROHYDRIDE HYDROLYSIS REACTION

GENÇ A. E., AKÇA A., KUTLU B.

TFD33, Muğla, Turkey, 6 - 10 September 2017, (Summary Text)

13. DFT STUDY OF THE HYDROXYL ION CO-ADSORPTION EFFECT ON PT(111) AND AU(111) SURFACES TO SODIUM BOROHYDRIDE HYDROLYSIS REACTION

GENÇ A. E., AKÇA A., KUTLU B.

TURKISH PHYSICAL SOCIETY 33RD INTERNATIONAL PHYSICS CONGRESS, Muğla, Turkey, 6 - 10 September 2017, (Summary Text)

14. dft studt of the hydroxyl ion co-adsorbtion effect on Pt(111)and Au(111) surfaces to sodium borohyride hydrolysis reaction

GENÇ A. E., AKÇA A., KUTLU B.

TFD33, Muğla, Turkey, 6 September - 10 June 2017, (Summary Text)

15. Catalysis of sodium borohydride in non catalayed solution

GENÇ A. E., KUTLU B.

TURKİSH PHYSİCAL SOCIETY 32. INTERNATIONAL PHYSICS CONGRESS, 6 - 09 September 2016, vol.1, pp.134, (Summary Text)

16. NaBH4 Hidrolizinde Au(111) Yüzeyinin Katalitik Etkisi

GENÇ A. E., KUTLU B.

21. Yoğun Madde Fiziği Ankara Toplantısı, Ankara, Turkey, 25 December 2015, (Summary Text)

17. NaBH4 Hidrolizinde Au 111 Yüzeyininin Katalitik Etkisis

GENÇ A. E., KUTLU B.

21. Yoğun Madde Fiziği Ankara Toplantısı, Turkey, 25 December 2015, (Summary Text)

18. INVESTIGATION Si(100) SURFACE USING 2-DIMENSIONAL ISING MODEL

GENÇ A. E., KUTLU B.

TURKISH PHYSICAL SOCIETY 28. PHYSICS CONFERENCE, Muğla, Turkey, 6 - 09 September 2011, (Summary Text)

19. Si(100) YÜZEYİNİN ISING MODEL İLE İNCELENMESİ

KUTLU B., GENÇ A. E.

TURKISH PHYSICAL SOCIETY 27TH INTERNATIONAL PHYSCICS CONFERENCE, Muğla, Turkey, 14 - 17 September 2010, (Summary Text)

20. 2-BOYUTLU ISING MODELDE KUSURLARIN KRİTİK DAVRANIŞA ETKİSİ

GENÇ A. E., KUTLU B.

TURKISH PHYSICAL SOCIETY 26. PHYSICS CONFERENCE, Muğla, Turkey, 24 - 27 September 2009, (Summary Text)

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111

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113

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6

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32

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