Ebrahim Nadimi

Journal Paper

1. "First-principles study of acetone adsorption on Cu-vacancy-engineered CuO surface for highly selective sensing"
   Erfan Karimmirza, Milad Yousefizad, Naser Hakimi Raad, Mahdi Molaei Zarasvand, Ebrahim Nadimi, Negien Manavizadeh
   Results in Physics, Vol. 80, 2026
2. "High-throughput screening of single-atom catalysts on defective graphene for advanced lithium-sulfur battery cathodes"
   Donna Rashidi, Ebrahim Nadimi, Irmgard Frank
   JOURNAL OF COLLOID AND INTERFACE SCIENCE, Vol. 704, 2026
3. "Single-Atom Chromium-Embedded N-Doped Graphene as a Multifunctional Separator Coating for Lithium-Sulfur Batteries"
   Frederik Bettels, Donna Rashidi, Zhihua Lin, Leon Schenk, Taoran Li, Haiwei Wu, Irmgard Frank, Ebrahim Nadimi, Yuping Liu, Chaofeng Zhang, Fei Ding, Lin Zhang
   Batteries & Supercaps, pp.1-8, 2025
4. "Density functional theory investigation of CuO/ZnO/CuO heterostructure nanotubes for CO sensing applications"
   Mahdi Molaei Zarasvand, Mohsen Bagheritabar, Melika Molaei Zarasvand, Milad Yousefizad, Amir mohammad Shahriyari, Erfan Karimmirza, Zahra Zalnezhad, Negien Manavizadeh, Ebrahim Nadimi
   Sensing and Bio-Sensing Research, Vol. 48, 2025
5. "Synergistic enhancement of lithium-sulfur battery performance via edge-engineered MoS2/graphene heterostructures: Insights from first principles calculations"
   Maryam Abbasi, Donna Rashidi, Ebrahim Nadimi, Irmgard Frank
   APPLIED SURFACE SCIENCE, Vol. 707, 2025
6. "Defect-mediated resistive switching in thin multilayer hexagonal boron nitride: A first principles study of charge state modulation"
   Maryam Keshavarz afshar, Ebrahim Nadimi
   Materials Today Physics, Vol. 52, 2025
7. "Optical and electrical properties of pristine and transition Metals-doped graphene quantum dots as gas sensors toward H2O and NO2: A first principles study"
   Hamide Shairfpour, Naser Hakimi Raad, Ebrahim Nadimi, Negien Manavizadeh, Siavosh Samoodi
   Results in Physics, Vol. 74, 2025
8. "Doping engineering in MoS2 as the cathode-host in lithium-sulfur batteries: A first principles investigation"
   Maryam Abbasi, Irmgard Frank, Ebrahim Nadimi
   Journal of Energy Storage, Vol. 95, 2024
9. "Gas Sensing Properties of Graphene/MoS2/Graphene Lateral Heterostructure: A First Principles Investigation"
   Forough Ghayyem, ALI KIAKOJOURI, Irmgard Frank, Ebrahim Nadimi
   IEEE SENSORS JOURNAL, Vol. 24, pp.36334-36341, 2024
10. "Ab Initio Molecular Dynamics Investigation on the Permeation of Sodium and Chloride Ions Through Nanopores in Graphene and Hexagonal Boron Nitride Membranes"
    Yasaman Dehhaghi, ALI KIAKOJOURI, Irmgard Frank, Ebrahim Nadimi
    CHEMPHYSCHEM, Vol. 25, pp.1-12, 2024
11. "Exploring the Structural and Electronic Properties of Different Types of Silicon Nanotubes: A First-Principles Study"
    Donna Rashidi, Maryam Hakimi, Irmgard Frank, Ebrahim Nadimi
    ACS Applied Electronic Materials, Vol. 6, pp.7540-7550, 2024
12. "Improving the electronic and optical properties of chalcogenide Cu2ZnSnS4 compound with transition metal dopants: A first-principles investigation"
    Naser Hakimi Raad, Erfan Karimmirza, Milad Yousefizad, Nima Nouri, Hamide Shairfpour, Ebrahim Nadimi, Maziar Ahmadi Zeidabadi, Negien Manavizadeh
    THIN SOLID FILMS, Vol. 766, pp.1-7, 2023
13. "Exploring the dynamics of DNA nucleotides in graphene/h-BN nanopores: insights from ab initio molecular dynamics"
    ALI KIAKOJOURI, Irmgard Frank, Ebrahim Nadimi
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 25, pp.13452-13464, 2023
14. "Different forms of silicon nanotubes and their interactions with DNA nucleotides: A molecular dynamics study"
    Narges Anbarloui, Ebrahim Nadimi
    PHYSICA B-CONDENSED MATTER, Vol. 649, pp.1-9, 2023
15. "Size Dependence of the Adsorption Properties of Nickel Clusters on the Surface of Aluminum Oxide"
    T. T. Magkoev, Ebrahim Nadimi, I. V. Tvauri, V. B. Zaalishvili, O. G. Ashkhotov, I. B. Ashkhotova
    Journal of Surface Investigation, Vol. 17, pp.1238-1241, 2023
16. "Experimental and density functional theory computational studies on highly sensitive ethanol gas sensor based on Au-decorated ZnO nanoparticles"
    Alireza Mahdloueyvaraghi, Ehsan Mohammadinasrabadi, Negien Manavizadeh, Ebrahim Nadimi, L. Ma'mani, Farhad Akbari Boroumand, M. Ahmadi Zeidabadi
    THIN SOLID FILMS, Vol. 741, pp.1-11, 2022
17. "Biosensing Properties of Zinc Oxide Nanoribbons Toward Creatine: A First-Principles Study"
    Tara Ghafouri, Negien Manavizadeh, Ebrahim Nadimi
    IEEE SENSORS JOURNAL, Vol. 22, pp.7433-7441, 2022
18. "The First Reaction Steps of Lithium-Mediated Ammonia Synthesis: Ab Initio Simulation"
    Dominykas Maniscalco, Dominik A. Rudolph, Ebrahim Nadimi, Irmgard Frank
    Nitrogen, Vol. 3, pp.404-413, 2022
19. "Band offset and leakage current in fluorine doped Si/HfO2/SiO2 gate stack of metal oxide semiconductor field effect transistors: An ab initio investigation"
    Ebrahim Nadimi, Arash Rahimi, Saeed Masoumi, Michael Schreiber
    THIN SOLID FILMS, Vol. 746, pp.1-6, 2022
20. "In-plane graphene/h-BN/graphene heterostructures with nanopores for electrical detection of DNA nucleotides"
    ALI KIAKOJOURI, Irmgard Frank, Ebrahim Nadimi
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 23, pp.25126-25135, 2021
21. "Ab-Initio Molecular Dynamics Simulation of the Electrolysis of Nucleobases"
    Irmgard Frank, Ebrahim Nadimi
    Energies, Vol. 14, pp.1-11, 2021
22. "The role of oxygen vacancies on SnO2 surface in reducing cross-sensitivity between ambient humidity and CO: A first principles investigation"
    Mohammadali Eslamian, Alireza Salehi, Ebrahim Nadimi
    SURFACE SCIENCE, Vol. 708, pp.1-10, 2021
23. "Gas sensing properties of a two-dimensional graphene/h-BN multi-heterostructure toward H2O, NH3 and NO2: A first principles study"
    Naser Hakimi Raad, Negien Manavizadeh, Irmgard Frank, Ebrahim Nadimi
    APPLIED SURFACE SCIENCE, Vol. 565, pp.1-7, 2021
24. "Ab-Initio Molecular Dynamics Simulation of Condensed-Phase Reactivity: The Electrolysis of Amino Acids and Peptides"
    Ali Kiakojouri, Ebrahim Nadimi, Irmgard Frank
    MOLECULES, Vol. 25, pp.1-10, 2020
25. "Wireless, miniaturized, semi-implantable electrocorticography microsystem validated in vivo"
    Keivan Keramatzadeh, ALI KIAKOJOURI, Sadegh Nahvi, Yousef Khazaei, Ali Feizi Nejad, Mohammad Hossein Maghami, Reza Mohammadi, Mohammadali Sharifshazileh, Soraya Nasiri, Farhad Akbari Boroumand, Ebrahim Nadimi, Mahmoud Rezaei, Amir Shojaei, Javad Mirnajafi?Zadeh, Amir Masoud Sodagar
    Scientific Reports, Vol. 10, pp.1-13, 2020
26. "First-principles investigation of two-dimensional topological insulators BiX (X=H, F, O)"
    Hamoon Fahrvandi, Ebrahim Nadimi, Michael Schreiber
    SEMICONDUCTOR SCIENCE AND TECHNOLOGY, Vol. 35, pp.1-19, 2020
27. "Electronic properties of graphene-ZnO interface a density functional theory investigation"
    Maryam Fathzadeh, Hamoon Fahrvandi, Ebrahim Nadimi
    NANOTECHNOLOGY, Vol. 31, pp.2-12, 2019
28. "Gas sensing properties of silicon nanowires with different cross-sectional shapes toward ammonia: a first-principles study"
    Tara Ghafouri, Rahele Tahmasebi, Negien Manavizadeh, Ebrahim Nadimi
    JOURNAL OF NANOPARTICLE RESEARCH, Vol. 21, pp.1-12, 2019
29. "Gas sensing properties of CNT-BNNT-CNT nanostructures: A first principles study"
    Seyed Shahim Vedaei, Ebrahim Nadimi
    APPLIED SURFACE SCIENCE, Vol. 470, pp.933-942, 2019
30. "Vacancy mediated magnetization and healing of a graphene monolayer"
    E. Nakhmedov, Ebrahim Nadimi, Seyed Shahim Vedaei, O. Alekperov, F. Tatardar, A. I. Najafov, I. I. Abbasov, A. M. Saletsky
    PHYSICAL REVIEW B, Vol. 99, 2019
31. ""
    Saeed Masoumi, Ebrahim Nadimi, Faramarz Hossien Babaei
    Vol. 9, pp.1-10, 2018
32. "Electronic properties of Ag-doped ZnO DFT hybrid functional study"
    Saeed Masoumi, Ebrahim Nadimi, Faramarz Hossien Babaei
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 20, pp.14688-14693, 2018
33. "Quality enhancement of AZO thin films at various thicknesses by introducing ITO buffer layer"
    Mahdiyar Nouri Rezaie, Negien Manavizadeh, Ebrahim Nadimi, Farhad Akbari Boroumand
    JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, Vol. 29, pp.1-10, 2017
34. "The influence of lanthanum doping on the band alignment in Si/SiO2/HfO2 gate stack of nano-MOSFETs A first principles investigation"
    Ebrahim Nadimi, Michael Schreiber
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, Vol. -, 2017
35. "Diffusion Mechanisms of Ag atom in ZnO crystal A First Principles Study"
    Saeed Masoumi, Amirreza Noori, Ebrahim Nadimi
    Journal of Physics Conference Series, Vol. 939, 2017
36. "Effect of seed layers on low-temperature chemical bath deposited ZnO nanorods-based near UV-OLED performance"
    Mahdiyar Nouri Rezaie, Negien Manavizadeh, Fatemeh Dehghan Nayeri, Maryam Massah Bidgoli, Ebrahim Nadimi, Farhad Akbari Boroumand
    CERAMICS INTERNATIONAL, Vol. 44, pp.4937-4945, 2017
37. "Acetone gas sensing mechanism on zinc oxide surfaces A first principles calculation"
    Mozhgan Sadeghianlemraski, Ebrahim Nadimi
    SURFACE SCIENCE, Vol. 657, pp.96-103, 2017
38. "Comparison study of transparent RF-sputtered ITO/AZO and ITO/ZnO bilayers for near UV-OLED applications"
    Mahdiyar Nouri Rezaie, Negien Manavizadeh, Ehsan Mohammadinasrabadi, Ebrahim Nadimi, Farhad Akbari Boroumand
    APPLIED SURFACE SCIENCE, Vol. 392, pp.549-556, 2016
39. "Defect generation and activation processes in HfO2 thin films Contributions to stress-induced leakage currents"
    Rolf ?ttking, Steve Kupke, Ebrahim Nadimi, Roman Leitsmann, Florian Lazarevic, Philipp Pl?nitz, Guntrade Roll, Stefan Slesazeck, Martin Trentzsch, Thomas Mikolajick
    PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE, Vol. 212, pp.547-553, 2015
40. "Charge transition levels of oxygen lanthanum and fluorine related defect structures in bulk hafnium dioxide (HfO2) An ab initio investigation"
    Roman Leitsmann, Florian Lazarevic, Ebrahim Nadimi, Rolf ?ttking, Philipp Pl?nitz, Elke Erben
    JOURNAL OF APPLIED PHYSICS, Vol. 117, 2015
41. "The Degradation Process of High-k SiO2/HfO2 Gate Stacks A Combined Experimental and First Principles Investigation"
    Ebrahim Nadimi, Roll Guntrade, Rolf Oettking, Philipp Plaenitz, Christian Radehaus, Michael Schreiber, R Agaiby, Martin Trentzsch, Steve Kupke, S Knebel, S Slesazeck, T Mikolajick
    IEEE TRANSACTIONS ON ELECTRON DEVICES, 2014
42. "Interaction of oxygen vacancies and lanthanum in Hf-based high-k dielectrics An ab initio investigation"
    Ebrahim Nadimi, Rolf Oettking, Philipp Plaenitz, Martin Trentzsch, Torben Kelwing, R Carter, Michael Schreiber, Christian Radehaus
    JOURNAL OF PHYSICS-CONDENSED MATTER, Vol. 23, 2011

Conference Paper

1. "33rd International Conference on Electrical Engineering (ICEE)"
   Donna Rashidi, Maryam Abbasi, Leila Sadeghbeigy, Matin Bakhtavari Mamaghani, Ebrahim Nadimi
   Computational Insights Into the Superior Performance of -Graphene in Li-S Batteries: A DFT Study, 2025
2. "33rd International Conference on Electrical Engineering (ICEE)"
   Matin Bakhtavari Mamaghani, Maryam Keshavarz afshar, Ebrahim Nadimi
   Carbon Doping and Defect Engineering in Hexagonal Boron Nitride: Insights from First-Principles Calculations, 2025
3. "32 nd international conference Electrical Engineering (ICEE)"
   Maryam Hakimi, Ebrahim Nadimi
   Chemical Stability and Electronic Properties of Silicon Doped Carbon Nanotubes: A First Principles Study, 2024
4. "32th International Conference on Electrical Engineering (ICEE 2024)"
   Omid Babaeinejad, Maryam Keshavarz afshar, Ebrahim Nadimi
   Defects Dynamics in Multilayer h-BN Resistive Switching Memories: A Molecular Dynamics Investigation, 2024
5. "28th Iranian Conference on Electrical Engineering (ICEE)"
   Yasaman Dehhaghi, Fatemeh Boroumand pour, Irmgard Frank, Ebrahim Nadimi
   Water Treatment with Cation Selective Porous Graphene and Boron Nitride Membrane: A Molecular Dynamics Investigation, 2020
6. "27th Iranian Conference on Electrical Engineering(ICEE2019)"
   Shima Rezaie, Zohreh Golshan Bafghi, Negien Manavizadeh, Ebrahim Nadimi
   Hydrogen Gas Sensing Mechanism in Zinc Oxide Nanowire and Nanotube: A Density Functional Theory Study, 2019
7. "27th Iranian Conference on Electrical Engineering(ICEE2019)"
   Faezeh Afshari, Zohreh Golshan Bafghi, Negien Manavizadeh, Ebrahim Nadimi
   H2O Absorption on Mono and Multilayer Zinc Oxide Nanoribbon: A First Principles Study, 2019
8. "27th Iranian Conference on Electrical Engineering(ICEE2019)"
   Naser Hakimi Raad, Ebrahim Nadimi, Negien Manavizadeh
   Sensing Properties of Lateral Graphene/h-BN Heterostructure towards NH3: A First Principles Study, 2019
9. "27th Iranian Conference on Electrical Engineering(ICEE2019)"
   Hamoon Fahrvandi, Ebrahim Nadimi, Maryam Fathzadeh
   Large Nontrivial Topological Band Gap in Heterostructure of Fluorine-Functionalized Bismuthene and h-BN Substrate: A First Principles Study, 2019
10. "DPG Spring Meeting of the Condensed Matter Section"
    Arash Rahimi, Ebrahim Nadimi, Michael Schreiber
    Structural, Energetic and Electronic Properties of Lanthanum and Fluorine Doped HfO2/SiO2 Gate Stack of MOSFETs, 2019
11. "DPG Spring Meeting of the Condensed Matter Section"
    Hamoon Fahrvandi, Ebrahim Nadimi, Michael Schreiber
    Quantum Spin Hall Insulator Phase in Graphene/Bismuthene Quantum Well Heterostructure, 2019
12. "DPG Spring Meeting of the Condensed Matter Section"
    Seyed Shahim Vedaei, Ebrahim Nadimi, Michael Schreiber
    Boosting the Sensitivity and Selectivity of a Nanotube-Based NO2 Gas Sensor: A First-Principles Investigation, 2019
13. "19th International Workshop on Computational Physics and Material Science - Total Energy and Force Methods"
    ALI KIAKOJOURI, Ebrahim Nadimi
    2D Graphene/h-BN/Graphene Lateral Heterostructures for DNA Sequencing: A DFT Investigation, 2019
14. "26th Iranian Conference on Electrical Engineering (ICEE2018)"
    Ebrahim Nadimi, Maryam Keshavarz afshar, Negien Manavizadeh
    Investigating the Electronic Properties of Oxygen Vacancies in Anatase TiO2: An Ab Initio Study, 2018
15. "The 25th Iranian conference on Electrical Engineering(ICEE2017)"
    Maryam Fathzadeh, Ebrahim Nadimi
    مطالعه برهم كنش بين گرافن و سطح قطبي (0001) اكسيد روي بر اساس روش هاي كوانتم مكانيكي در ابعاد اتمي, 2017
16. "The 25th Iranian conference on Electrical Engineering(ICEE2017)"
    Seyed Shahim Vedaei, Ebrahim Nadimi
    Sensing Properties of Doped Zigzag CNT and BNNT towards CO A First Principles Study, 2017
17. "The 25th Iranian conference on Electrical Engineering(ICEE2017)"
    Amir Safarpoor Kordbacheh, ALI KIAKOJOURI, Ebrahim Nadimi
    Interaction between DNA-Nucleotides and Nanopores in h-BN/Graphene Devices An ab initio Study, 2017
18. "The 25th Iranian conference on Electrical Engineering(ICEE2017)"
    Mohammadali Eslamian, Ebrahim Nadimi, Alireza Salehi
    Effect of humidity on gas sensing properties of tin dioxide toward carbon monoxide a first principle study, 2017
19. "DPG-Fr hjahrstagung (DPG Spring Meeting)"
    Seyed Shahim Vedaei, Ebrahim Nadimi
    Sensing Properties Of Carbon-Nanotube/Boron-Nitride-Nanotube Heterojunction towards Carbon Monoxide A First Principles Study, 2017
20. "6th International Conference on Materials and Applications for Sensors and Transducers (ICMAST)"
    Saeed Masoumi, Amirreza Noori, Ebrahim Nadimi
    Diffusion Mechanisms of Ag atom in ZnO crystal A First Principles Study, 2016
21. "24th Iranian Conference on Electrical Engineering (ICEE)"
    Ehsan Mohammadinasrabadi, Ahmad Ghannadan Zadeh, Ebrahim Nadimi, Farhad Akbari Boroumand
    Atomic and Electronic Structures of ZnO Nanowires and Nanotubes A First Principles Study, 2016
22. "24th Iranian Conference on Electrical Engineering (ICEE)"
    Amin Hamidi jahromi, Ebrahim Nadimi
    First Principles Calculation of Current-Voltage Characteristics of Defected Zigzag Graphene Nanoribons, 2016
23. "24th Iranian Conference on Electrical Engineering (ICEE)"
    Narges Anbarloui, Ebrahim Nadimi, Davood Asemani
    بررسي ساختارهاي متنوع نانولوله هاي سيليكوني به روش ديناميك مولكولي, 2016
24. "NanoStructured Solar Cells (NSSC 94)"
    Reza Mohammadi pashaki, Ebrahim Nadimi, Farhad Akbari Boroumand
    ساخت سلول خورشيدي آلي با استفاده از پليمرهاي P3HT و MEH-PPV و نانوذرات اكسيد روي, 2015
25. "3rd International Conference on Nanotechnology (ICN2015)"
    Mahdiyar Nouri Rezaie, Negien Manavizadeh, Ebrahim Nadimi, Farhad Akbari Boroumand
    Influence of ZnO nanorods on the performance of MEH-PPV based OLED in near UV range, 2015
26. "23rd Iranian Conference on Electrical Engineering"
    Seyed Ahamd Etghani, Ebrahim Nadimi
    Investigation of the p-type behavior in Cu2O An ab initio study, 2015
27. "DPG-Fr hjahrstagungen (Spring Meetings)"
    Roman Leitsmann, Florian Lazarevic, Rolf Oettking, Ebrahim Nadimi, Philipp Plaenitz
    Charge transition levels of oxygen lanthanum and fluorine related defect structures in bulk hafniumdioxide (HfO2) an ab initio investigation, 2015
28. "DPG-Fr hjahrstagungen (Spring Meetings)"
    Delsooz Hasani, Saeed Masoumi, Ebrahim Nadimi, Faramarz Hossien Babaei
    Simultaneous adsorption of water and molecular oxygen on nonpolar ZnO (1010) surface a microscopic understanding, 2015
29. "The First Conferecne on Novel Approaches of Biomedical Engineering in Cardivascular Diseases"
    Narges Anbarloui, Davood Asemani, Ebrahim Nadimi
    Comparative Analysis of Cell Therapy Methods for Cardiovascular Diseases, 2015
30. "International Workshop on Computational Physics and Materials Science Total Energy and Force Methods (smr 2703)"
    Seyed Ahamd Etghani, Ebrahim Nadimi
    An Investigation of Quantum Transport Properties in Silicon Nanotubes, 2015
31. "2014 IEEE Biomedical Circuits and Systems Conference (BioCAS)"
    Reza Mohammadi, Mohammad Ali Sharif Shazileh, Ali Kia Kojoori, Masoud Hoveidar Sefid, Amir Masoud Sodagar, Ebrahim Nadimi
    A compact ECoG system with bidirectional capacitive data telemetry, 2014
32. "22nd Iranian Conference on Electrical Engineering (ICEE 2014)"
    Saeed Masoumi, Ebrahim Nadimi
    First-principles study of zinc oxide The p-type doping perspective, 2014
33. "22nd Iranian Conference on Electrical Engineering (ICEE 2014)"
    Seyyed mohammad sadegh Seyyedi, Zohreh sadat Miripour, Ebrahim Nadimi
    Application of graphene and aluminum doped graphene as a CO sensor An ab initio study, 2014
34. "Nanostructured Sollar Cells (NSSC 92)"
    Mahdiyar Nouri Rezaie, Ebrahim Nadimi, Negien Manavizadeh
    بررسي خواص نوري ساختارهاي پليمري ppp و ppv به عنوان لايه فعال در سلول خورشيدي ارگانيكي, 2013
35. "2013 International Semiconductor Conference Dresden - Grenoble (ISCDG)"
    Roman Leitsmann, Philipp Plaenitz, Ebrahim Nadimi, Rolf Oettking
    Oxygen related defects and the reliability of high-k dielectric films in FETs, 2013
36. ""
    Ebrahim Nadimi, Rolf Oettking, Philipp Plaenitz, Michael Schreiber, Christian Radehaus
    First-principles investigation of the leakage current through strained SiO 2 gate dielectrics in MOSFETs, 2011