·         M. Abbasi, I. Frank, E. Nadimi, “Doping engineering in MoS₂ as the cathode-host in lithium‑sulfur batteries: A first principles investigation,” Journal of Energy Storage, vol. 95, pp. 112555, 2024.

·         Y. Dehhaghi, A. Kiakojouri, I. Frank, E. Nadimi, “Ab initio Molecular Dynamics Investigation on the Permeation of Sodium and Chloride Ions through Nanopores in Graphene and Hexagonal Boron Nitride Membranes,“ ChemPhysChem, e202400318, 2024.

·         N. H. Raad, E. Karimmirza, M. Yousefizad, N. Nouri, H. Sharifpour, E. Nadimi, M. Ahmadi Zeidabadi, N. Manavizadeh, “Improving the electronic and optical properties of chalcogenide Cu₂ZnSnS₄ compound with transition metal dopants: A first-principles investigation,” Thin Solid Films, vol. 766, pp. 139653, 2023.

·         N. Anbarloui, E. Nadimi, “Different forms of silicon nanotubes and their interactions with DNA nucleotides: A molecular dynamics study,” Physica B: Condensed Matter, vol. 649, pp. 414491, 2023.

·         A. Kiakojouri, I. Frank, “Exploring the dynamics of DNA nucleotides in graphene/h-BN nanopores: insights from ab initio molecular dynamics,” Physical Chemistry Chemical Physics, vol. 25 (19), pp. 13452-13464, 2023.

·         D. Maniscalco, D.A. Rudolph, E. Nadimi, I. Frank, “The first reaction steps of lithium-mediated ammonia synthesis: Ab Initio Simulation,” Nitrogen, vol. 3 (3), pp.  404-413, 2022.

·         T. Ghafouri, N. Manavizadeh, E. Nadimi, “Biosensing properties of zinc oxide nanoribbons toward creatine: A first-principles study,” IEEE Sensors Journal, vol. 22 (8), pp. 7433-7441, 2022.

·         A.M. Eyvaraghi, E. Mohammadi, N. Manavizadeh, E. Nadimi, L. Ma'mani, “Experimental and density functional theory computational studies on highly sensitive ethanol gas sensor based on Au-decorated ZnO nanoparticles,” Thin Solid Films, vol. 741, pp. 139014, 2022.

·         E. Nadimi, A. Rahimi, S. Masoumi, M. Schreiber, “Band offset and leakage current in fluorine doped Si/HfO₂/SiO₂ gate stack of metal oxide semiconductor field effect transistors: An ab initio investigation,” Thin Solid Films, vol. 746, pp. 139116, 2022.

·         I. Frank, E. Nadimi, “Ab-Initio Molecular Dynamics Simulation of the Electrolysis of Nucleobases,” Energies, vol. 14, pp.5021, 2021.

·         A. Kiakojouri, I. Frank, E. Nadimi, “In-plane graphene/h-BN/graphene heterostructures with nanopores for electrical detection of DNA nucleotides,” Physical Chemistry Chemical Physics, vol. 23 (44),pp. 25126-25135, 2021.

·         N. Hakimi Raad, N. Manavizadeh, I. Frank, E. Nadimi, “Gas sensing properties of a two-dimensional graphene/h-BN multi-heterostructure toward H₂O, NH₃ and NO₂: A first principles study,” Applied Surface Science, vol. 565, pp. 150454, 2021.

·         M. Eslamian, A. Salehi, E. Nadimi, “The role of oxygen vacancies on SnO₂ surface in reducing cross-sensitivity between ambient humidity and CO: A first principles investigation,” Surface Science, vol. 708, pp. 121817, 2021.

·         A. Kiakojouri, E. Nadimi, I. Frank, “Ab-initio molecular dynamics simulation of condensed-phase reactivity: the electrolysis of amino acids and peptides,” Molecules, vol. 25 (22), pp. 5415, 2020.

·         K. Keramatzadeh, A. Kiakojouri, M.S. Nahvi, Y. Khazaei, A. Feizi-Nejad, …, E. Nadimi, ..., “Wireless, miniaturized, semi-implantable electrocorticography microsystem validated in vivo,” Scientific Reports, vol.  10 (1), pp. 21261, 2020.

·         H. Fahrvandi, E Nadimi, M. Schreiber, “First-principles investigation of two-dimensional topological insulators BiX (X=H, F, O),” Semiconductor Science and Technology, vol. 35(8), pp. 085033, 2020.

·         M. Fathzadeh, H. Fahrvandi, E. Nadimi, “Electronic properties of graphene-ZnO interface: A density functional theory investigation,” Nanotechnology, vol. 31(2), pp. 025710, 2019.

·         E. Nakhmedov, E. Nadimi, S. Vedaei, O. Alekperov, F. Tatardar, A. I. Najafov, I. I. Abbasov, and A. M. Saletsky, “Vacancy mediated magnetization and healing of a graphene monolayer,” Phys. Rev. B, vol. 99, pp. 125125, 2019.

·         S. S. Vedaei and E. Nadimi, “Gas sensing properties of CNT-BNNT-CNT nanostructures: A first principles study,” Appl. Surface Science, vol. 470, pp. 933-942, 2019.

·         S. Masoumi, E. Nadimi and F. Hossein-Babaei, “Electronic properties of Ag-doped ZnO: DFT hybrid functional study,” Phys.Chem. Chem. Phys., vol. 20, pp. 14688-14693, 2018.

·         M. N. Rezaie, N. Manavizadeh, F. D. Nayeri, M. M. Bidgoli, E. Nadimi and F. A. Boroumand, “Effect of seed layers on low-temperature, chemical bath deposited ZnO nanorods-based near UV-OLED performance,” Ceramics International, vol. 44, pp. 4937-4945, 2018.

·         E. Nadimi and M. Schreiber, “The influence of lanthanum doping on the band alignment in Si/SiO₂/HfO₂ gate stack of nano-MOSFETs: A first principles investigation,” Physics Status Solidi B: Basic Research, vol. 254, pp. 1700147, 2017

·         M. N. Rezaie, N. Manavizadeh, E. Nadimi and F. A. Boroumand, “Quality enhancement of AZO thin films at various thicknesses by introducing ITO buffer layer,” Journal of Materials Science: Materials in Electronics, vol. 28, pp. 9328-9337, 2017.

·         M. Sadeghian Lemraski and E. Nadimi, “Acetone gas sensing mechanism on zinc oxide surfaces: A first principles calculation,” Surface Science, vol. 657, pp. 96-103, 2017.

·         M. N. Rezaie, N. Manavizadeh, E. M. N. Abadi, E. Nadimi and F. A. Boroumand, “Comparison study of transparent RF-sputtered ITO/AZO and ITO/ZnO bilayers for near UV-OLED applications,” Applied Surface Science, vol. 392, pp. 549-556, 2017.

·         R. Leitsmann, F. Lazarevic, E. Nadimi, R. Öttking, P. Plänitz, and E. Erben, “Charge transition levels of oxygen, lanthanum, and fluorine related defect structures in bulk hafnium dioxide (HfO₂): An ab initio investigation,” Journal of Applied Physics, vol. 117, pp. 244503, 2015.

·         R. Öttking, S. Kupke, E. Nadimi, R. Leitsmann, F. Lazarevic, P. Plänitz, G. Roll, S. Slesazeck, M. Trentzsch, T. Mikolajick, “Defect generation and activation processes in HfO₂ thin films: Contributions to stress-induced leakage currents,” Physica Status Solidi A: Applications and Materials Science, vol. 212, pp. 547-553, 2015.

·         E. Nadimi, G. Roll, S. Kupke, R. Öttking, P. Plänitz, C. Radehaus, M. Schreiber, R. Agaiby, M. Trentzsch, S. Knebel, S. Slesazeck, T. Mikolajick, “The Degradation Process of High-k SiO₂/HfO₂ Gate Stacks: A Combined Experimental and First Principles Investigation,” IEEE Trans. on Electron Devices, vol. 61, pp. 1278-1283, 2014.

·         E. Nadimi, M. Schreiber, R. Öttking, P. Plänitz, C. Radehaus, M. Trentzsch, T. Kelwing, and R. Carter, “Interaction of oxygen vacancies and lanthanum in Hf-based high-k dielectrics: an ab initio investigation,” Journal of Phys.: Condens. Matter, vol 23, pp. 365502, 2011.

·         E. Nadimi, P. Plänitz, R. Öttking, M. Schreiber and C. Radehaus, “Single and multiple oxygen vacancies in ultrathin SiO₂ gate dielectric and their influence on the leakage current: an ab initio investigation,” IEEE Electron Device Letters, vol. 31, pp. 881-883, 2010.

·         E. Nadimi, P. Plänitz, R. Öttking, and C. Radehaus, “First principle calculation of leakage current through SiO₂ and SiO_xN_y gate dielectrics in MOSFETs,” IEEE Trans. on Electron Devices, vol. 57, pp. 690-695, 2010.

·         A. Abbasi, E. Nadimi, P. Plänitz, and C. Radehaus, “Density functional study of the adsorption of Aspirin on the hydroxylated (001) α-quartz surface,” Surf. Sci., vol. 603, pp. 2502-2506, 2009.

·         E. Nadimi, C. Golz, M. Trentzsch, L. Herrman, K. Wieczorek and C. Radehaus, “Tunneling effective mass of electrons in lightly N-doped SiO_xN_y gate insulators,” IEEE Trans. on Electron Devices, vol. 55, pp. 2462-2468, 2008.

·         E. Nakhmedov, E. Nadimi, M Bouhassoune, C. Radehaus and K. Wieczorek “First-Principle calculation of the band gap of Hf_xSi_1-xO₂ and Zr_xSi_1-xO₂ alloys,” Phys. Rev. B, vol. 75, pp. (115204)1-8, 2007.

·         E. Nadimi, C. Radehaus, E. Nakhmedov, K. Wieczorek, “Simulation of the direct tunneling current in Metal-Oxide-Semiconductor capacitor with half-opened boundaries,” J. Appl. Phys., vol. 99, pp. (104501)1-7, 2006.

Books

 Fundamental of electric circuits