محمدرضا الهي فرد

Journal Paper

1. "The value of charge of Fe single to multiple atoms doped in Ge: Combined experimental and density functional theory study"
   Tamerlan T. Magkoev, Yong Men, Reza Behjatmanesh, Mohammadreza Elahifard, Vladimir T. Abaev, Petrakis N. Chalikidi, Vladislav B. Zaalishvili, Taymuraz T. Magkoev, Oleg G. Ashkhotov
   SOLID STATE COMMUNICATIONS, Vol. 378, 2024
2. "Combined Experimental and Periodic DFT Study of the Size Dependence of Adsorption Properties of Oxide?Supported Metal Nanoclusters: A Case of NO on Ni/Al₂O₃"
   Tamerlan T. Magkoev, Yong Men, Reza Behjatmanesh, Mohammadreza Elahifard, Vladimir T. Abaev, Petrakis Chalikidi, Taymuraz T. Magkoev, Oleg G. Ashkhotov
   SURFACE AND INTERFACE ANALYSIS, Vol. 56, pp.842-850, 2024
3. "Some new Cu(II) complexes containing O,N-donor Schiff base ligands derived from 4-aminoantipyrine: synthesis, characterization, crystal structure and substitution effect on antimicrobial activity"
   Hadi Kargar shouroki, Fariba Aghaei-Meybodi, Mohammadreza Elahifard, Muhammad Nawaz Tahir, Muhammad Ashfaq, Khurram Shahzad Munawar
   JOURNAL OF COORDINATION CHEMISTRY, Vol. 74, pp.1-13, 2021
4. "Synthesis, crystal structure, theoretical calculation, spectroscopic and antibacterial activity studies of copper(II) complexes bearing bidentate schiff base ligands derived from 4-aminoantipyrine: Influence of substitutions on antibacterial activity"
   Hadi Kargar shouroki, Fariba Aghaei-Meybodi, Reza Behjatmanesh, Mohammadreza Elahifard, Vajiheh Torabi, Mehdi Fallah-Mehrjardi, Muhammad Nawaz Tahir, Muhammad Ashfaq, Khurram Shahzad Munawar
   JOURNAL OF MOLECULAR STRUCTURE, Vol. 1230, pp.129908-129908, 2021
5. "Band gap reduction of (Mo+N) co-doped TiO2 nanotube arrays with a significant enhancement in visible light photo-conversion: A combination of experimental and theoretical study"
   Majid Mollavali, Sohrab Rohani, Mohammadreza Elahifard, Reza Behjatmanesh, Mohammad Nourany
   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, Vol. 46, pp.21475-21498, 2021
6. "An Experimental and Theoretical Study of Electron Energy Dissipation in a Flowing Stream"
   Majid Emami Meibodi, Mohammadreza Elahifard, Fatemeh Abyar Firouzabadi
   CHINESE JOURNAL OF PHYSICS, Vol. 68, pp.641-646, 2020
7. "Dispersion of Defects in TiO2 Semiconductor: Oxygen Vacancies in the Bulk and Surface of Rutile and Anatase"
   Mohammadreza Elahifard, Mohammad Reza Sadrian, Amir Mirzanejad, Reza Behjatmanesh, Seyedsaeid Ahmadvand
   Catalysts, Vol. 10, 2020
8. "A computational study on the effect of Ni impurity and O-vacancy on the adsorption and dissociation of water molecules on the surface of anatase (101)"
   Mohammadreza Elahifard, Hajar Heydari, Reza Behjatmanesh, Bijan Peik, Seyedsaeid Ahmadvand
   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, Vol. 136, 2020
9. "تخریب علف کش آترازین مقایسه عملکرد فوتوکاتالیزوری ترکیب نانوذرات نقره رسوبی روی نانوالیاف تیتانیا با ترکیب نقره ذوب شده در نانو الیاف تیتانیا"
   Mohammadreza Elahifard
   شیمی کاربردی, pp.9-16, 2019
10. "Predictive Modeling of Corrosion in Al/Mg Dissimilar Joint"
    Seyedsaied Ahmadvand, Mohammadreza Elahifard, Bijan Peik, Reza Behjatmanesh, Behrooz Abbasi, Bahman Abbasi
    ChemEngineering, Vol. 3, 2019
11. "مطالعه اثر همزمان ناخالصی فلزهای واسطه 3d و نقص تهی جای اکسیژن روی TiO2 آناتاز و روتیل"
    Mahmoud Esfandfard, Mohammadreza Elahifard, Reza Behjatmanesh-Ardakani, Hadi Kargar shouroki
    پژوهش فیزیک ایران, Vol. 19, pp.19-30, 2019
12. "A mechanistic study of photo-oxidation of phenol and AB92 by AgBr/TiO2"
    Mohammadreza Elahifard, Reza Behjatmanesh, S. Ahmadvand, B. Abbasi, B. Abbasi
    RESEARCH ON CHEMICAL INTERMEDIATES, Vol. 45, pp.4885-4896, 2019
13. "Role of oxygen vacancy in the adsorption and dissociation of the water molecule on the surfaces of pure and Ni-doped rutile (110) a periodic full- potential DFT study"
    hajar heydari, Mohammadreza Elahifard, reza behjatmanesh Ardakani
    SURFACE SCIENCE, Vol. 679, pp.218-224, 2019
14. "Full-potential DFT study of CO dissociation on FeCu cluster"
    maryam farsad, Mohammadreza Elahifard, reza Behjatmaneshardakani
    THEORETICAL CHEMISTRY ACCOUNTS, Vol. 137, pp.137-142, 2018
15. "Full-potential DFT study of CO dissociation on Fe-Cu cluster2"
    Maryam Farsad, Mohammadreza Elahifard, Reza Behjatmanesh
    THEORETICAL CHEMISTRY ACCOUNTS, Vol. 137, 2018
16. "DFT Study on Oxygen-Vacancy Stability in Rutile/Anatase TiO2: Effect of Cationic Substitutions2"
    Seyed Mahmoud Esfandfard, Mohammadreza Elahifard, Reza Behjatmanesh, Hadi Kargar shouroki
    Physical Chemistry Research, Vol. 6, 2018
17. "ساختارهای اصلاح شده هسته (مغناطیس)-لایه (زئولیتی) با قابلیت حذف یون های فلزهای سنگین از پساب ها"
    mohsen padervand, Mohammadreza Elahifard
    شیمی و مهندسی شیمی ایران, Vol. 37, pp.125-131, 2018
18. "Effects of Ni-doping on the photo-catalytic activity of TiO 2 anatase and rutile Simulation and experiment"
    Mohammadreza Elahifard, seyedsaeed ahmadva, amir mirzanejad
    MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, Vol. 84, pp.10-16, 2018
19. "Modeling investigation on the thermal conductivity of saturated vapor"
    Majid Emami Meibodi, Mohammadreza Elahifard
    FLUID PHASE EQUILIBRIA, Vol. 474, pp.14-19, 2018
20. "DFT Study on Oxygen-Vacancy Stability in Rutile/Anatase TiO 2 Effect of Cationic Substitutions"
    seyed mahmoud esfandfard, Mohammadreza Elahifard, Reza Behjatmaneshardakani, Hadi Kargar shouroki
    Physical Chemistry Research, Vol. 6, pp.547-563, 2018
21. "The Effect of Cu Impurity on the CO-dissociation Mechanism on the Fe (100) Surface: A Full Potential DFT Study"
    Maryam Farsad, Mohammadreza Elahifard, Reza Behjatmanesh
    Physical Chemistry Research, Vol. 5, 2017
22. "A Gibbs energy minimization study on the biomass gasification process for methanol synthesis"
    Majid Emami Meibodi, Mohammadreza Elahifard
    Biofuels, Vol. 10, pp.1-8, 2017
23. "The Effect of Cu Impurity on the CO0dissociation Mechanism on the Fe (100) Surface A Full Potential DFT Study"
    maryam farsad, Mohammadreza Elahifard, reza behjatmanesh
    Physical Chemistry Research, Vol. 5, pp.831-839, 2017
24. "Development of a Spectrophotometric Method for the Measurement of Kinetic Solubility Economical Approach to be Used in Pharmaceutical Companies"
    Mohsen Padervand, Mohammadreza Elahifard
    PHARMACEUTICAL CHEMISTRY JOURNAL, Vol. 51, pp.511-515, 2017
25. "Copper gold and silver decorated magnetic corepolymeric shell nanostructures for destruction of pathogenic bacteria"
    Mohsen Padervand, Ahmad Kiani Karanji, Mohammadreza Elahifard
    Russian Journal of Physical Chemistry A, Vol. 91, pp.936-945, 2017
26. "Photo-deposition of Ag metal particles on Ni-doped TiO2 for photocatalytic application"
    Mohammadreza Elahifard, Reza Vatan Meidanshahi
    PROGRESS IN REACTION KINETICS AND MECHANISM, Vol. 42, pp.244-250, 2017
27. "The effect of double impurity cluster of Ni and Co in TiO 2 bulk a DFT study"
    Mohammadreza Elahifard, mohsen padervand, سید سیامک یاسینی, elham fazeli
    JOURNAL OF ELECTROCERAMICS, Vol. 37, pp.79-84, 2016
28. "Nanoporous Ag2O photocatalysts based on copper terephthalate metal-organic frameworks"
    Neda Mohaghegh, Sahar Kamrani, Mahboubeh Tasviri, Mohammadreza Elahifard, Mohammadreza Gholami
    JOURNAL OF MATERIALS SCIENCE, Vol. 50, pp.4536-4546, 2015
29. "Highly efficient hydroxyapatite/TiO2 composites covered by silver halides as E. coli disinfectant under visible light and dark media"
    Maryam Azimzadehirani, Mohammadreza Elahifard, Saeed Haghighi, MohammadReza Gholami
    PHOTOCHEMICAL and PHOTOBIOLOGICAL SCIENCES, Vol. 12, pp.1787-1794, 2013
30. "Ab-Initio calculations of the CO adsorption and dissociation on substitutional Fe-Cu surface alloys relevant to Fischer-Tropsch Synthesis bcc -(Cu)Fe(100) and fcc -(Fe)Cu(100)"
    Mohammadreza Elahifard, Elham Fazeli, Azadeh Joshani, MohammadReza Gholami
    SURFACE AND INTERFACE ANALYSIS, Vol. 45, pp.1081-1087, 2013
31. "Direct versus Hydrogen-Assisted CO Dissociation on the Fe(100) Surface a DFT Study"
    Mohammadreza Elahifard, Manuel Pérez Jigato, J. W. Hans Niemantsverdriet
    CHEMPHYSCHEM, Vol. 13, pp.89-91, 2012

Conference Paper

1. "26th Iranian Seminar of Organic Chemistry"
   Hadi Kargar shouroki, Mohammadreza Elahifard
   Synthesis, Spectral Characterization and Antimicrobial Schiff Base Ligands Derived from 4-Amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one, 2019
2. "20th Iranian Inorganic Chemistry Conference"
   Hadi Kargar shouroki, Mohammadreza Elahifard
   Synthesis, spectral characterization and investigation of biological properties of Cu(II) Schiff base complex derived from 4-aminoantipyrine, 2019
3. "The16th Iranian National Congress of Chemical Engineering"
   Mohammadreza Elahifard, Hadi Kargar shouroki
   Electronic structure of ZnO photo-catalyst; A DFT study, 2019
4. "The16th Iranian National Congress of Chemical Engineering"
   Majid Mollavali, Mohammadreza Elahifard
   بررسي تاثير حضور آب بر روي سنتز و خصوصيات فوتوالكتروشيميايي نانولوله هاي دي اكسيد تيتانيوم به روش آندي شدن, 2019
5. "2nd Iranian Applied Chemistry Seminar (2IACS)"
   Mohammadreza Elahifard
   Preparation and Consideration of Photocatalytic Properties of Carbon Nanotubes Coated with Titanium Oxide Nanoparticles, 2017
6. "2nd Iranian Applied Chemistry Seminar (2IACS)"
   Mohammadreza Elahifard, Fatemeh Abyar Firouzabadi
   Ag 3 PO 4 /BiPO 4 نانوكامپوزيت با آترازين كش علف تخريب, 2017
7. "2nd Iranian Applied Chemistry Seminar (2IACS)"
   Fatemeh Abyar Firouzabadi, Mohammadreza Elahifard
   DNA با سرطان ضد جديد ي ها ي دارو كنش برهم مطالعه, 2017
8. "4th International Conference on Recent Innovations in Chemistry and Chemical Engineering"
   Mohammadreza Elahifard
   Optimization of various rutile TiO2 surface A DFT calculation, 2017
9. "4th International Conference on Recent Innovations in Chemistry and Chemical Engineering"
   Mohammadreza Elahifard, Majid Emami Meibodi, Mahdi Dehghani
   بررسي توزيع شصت نوع محصول احتمالي توليد شده در فرآيند فيشر تروپش توسط روش, 2017
10. "اولین همایش ملی کشاورزی، منابع طبیعی و دامپزشکی"
    Mohammadreza Elahifard, seyedahmad mousavi
    First0Principles Investigation of NO Adsorption on rutile TiO 2 (110) surface, 2017
11. "اولین همایش ملی کشاورزی، منابع طبیعی و دامپزشکی"
    Mohammadreza Elahifard
    The effect of nitrogen impurity on the antibacterial activity of TiO 2 under visible light media, 2017
12. "اولین همایش ملی کشاورزی، منابع طبیعی و دامپزشکی"
    Mohammadreza Elahifard
    Antibactrial activity of Co0doped TiO 2 under visible light media, 2017
13. "8th World International Conference on Science Engineering and Technology (WICET2017)"
    Mohammadreza Elahifard
    The effect of Cr impurity on rutile TiO2 electronic structure, 2017
14. "4th National Conference on Application of Novel Technologies in Engineering Science"
    Mohammadreza Elahifard, Majid Emami Meibodi
    Ruthenium Sensitizer Functionalized by Carboxylic Anchoring Groups for Dye Sensitized Solar Cells, 2017
15. "4th National Conference on Application of Novel Technologies in Engineering Science"
    Mohammadreza Elahifard, Majid Emami Meibodi
    STRUCTURE AND ELECTRONIC PROPERTIES OF VANADIUM DOPED TiO2, 2017
16. "4th National Conference on Application of Novel Technologies in Engineering Science"
    Mohammadreza Elahifard, Majid Emami Meibodi
    برنامه اي به زبان MATLAB جهت برآورد قيمت كالا و خدمات و تست هاي آزمايشگاهي, 2017
17. "چهارمین همایش ملی شیمی، مهندسی شیمی و نانو ایران"
    Mohammadreza Elahifard
    COMPARING CO DISSOCIATION PATHWAYS ON THE VARIOUS IRON SURFACES AS FE(100) AND FE(110), 2016
18. "چهارمین همایش ملی شیمی، مهندسی شیمی و نانو ایران"
    Mohammadreza Elahifard
    THE THERMODYNAMICALLY INVESTIGATION OF ETHYLENE/ETHANE FORMING PROCESS FROM ETHYL ON IRON(100) SURFACE USING DFT, 2016
19. "3th International Conference on New Research Achievements in Chemistry and Chemical Engineering"
    Mohammadreza Elahifard
    Direct versus hydrogen-assisted CO dissociation on the steep Iron surface a DFT study, 2016
20. "چهارمین کنگره بین المللی پیشرفت در شیمی، مهندسی شیمی و متالوژی"
    Mohammadreza Elahifard
    The study of Ni and Co interaction in the TiO2 bulk, 2016
21. "6th International Conference on Innovation Knowledge and Enterprise"
    Mohammadreza Elahifard
    DFT study on electronic properties of zinc oxide, 2016
22. "6th International Conference on Innovation Knowledge and Enterprise"
    Mohammadreza Elahifard
    A DFT study of titanium interstitial in rutile TiO2, 2016
23. "6th International Conference on Innovation Knowledge and Enterprise"
    Mohammadreza Elahifard
    First-principles calculation on CO2 adsorption at ZnO (0001 surface), 2016
24. "2nd International Conference on new Research Achievement in Chemistry and Chemical Engineering"
    Ashkan Bagheri-faradonbeh, Mohammadreza Elahifard
    بررسي اثر ضد باكتري فوتوكاتاليزور تركيبي از AgBr/TiO2 پوشش داده شده با مشتقات اپاتيت, 2016