Papers in Journals

1- H. Basreh Arani , Z., F. Zergani, “High sensitivity of s-triazine based g-C₃N₄ surface to pollutant gases”, Applied Surface Science, 659 (2024) 159926.

2- M. Afzalkhah, S. Masoum, M. Behpour, Z. Tavangar, H. Naeimi, “Corrosion inhibition behavior of 2‑(4‑methoxyphenyl)‑benzothiazole on mild steel corrosion through design of experiments approach, quantum chemical calculations and molecular dynamics simulation”, Journal of the Iranian Chemical Society, 21 (2024) 211439.

3- F. Zergani, Z. Tavangar, “Achieving arbitrary CO2 adsorption energy on χ3 borophene surface by applying electric field or strain: DFT and RSM approaches”, Fuel, 350 (2023) 128809.

4- M. Heshami, Z. Tavangar, B. Taheri, “Adsorption of gold and silver glycinate on graphene and graphene oxide surface: A DFT study”, Applied Surface Science, 619 (2023) 156676.

5- M. Mohammadi, Z. Tavangar, “Adsorption of aromatic molecules on a black phosphorene surface: a first-principles study”, New Journal of Chemistry, 47 (2023) 1842.

6- M. Mazloum-Ardakani, A. Ebadi, Z. Tavangar, F. Vajhadin, R. Behjatmanesh-Ardakani, S. M. Moshtaghioun, R. Haghniaz, “Fabrication of pH-Sensitive Dual Antibiotic-Loaded PVP-PEG@ZnO Nanohybrids for Controlled Drug Release to Combat Bacteria”, Journal of Nanostructures, 12 (2022) 389.

7- F. Vajhadin, M. Mazloum-Ardakani, Z. Tavangar, M. Shahidi, “Design of a nanocytosensor for isolation and electrochemical detection of folate-overexpressed circulating tumor cells”, Sensors and Actuators: B. Chemical, 365 (2022) 131873.

8- F. Zergani, Z. Tavangar, “Gas sensing behavior and adsorption mechanism on χ3 borophene surface”, Chemical Engineering Journal, 431 (2022) 133947.

9- Z. Hajiahmadi, Z. Tavangar, “Proposing a new complexing agent for cyanide-free silver electroplating through a comprehensive computational study of dimethyl hydantoin”, Molecular Simulation, 47 (2021) 619–627.

10- H. Pirdadeh Beyranvand, Z. Tavangar, “A detailed study of lithium storage on γ-BNyne; computational approach”, Applied Surface Science, 542 (2021) 148569.

11- Z. Hajiahmadi, Z. Tavangar, H. Behzadi “A DFT Study of the reaction between benzopyrene epoxide and C₆₀ derivatives as possible anticancer activity”, Polycyclic Aromatic Compounds, 41 (2021) 593.

12- F. Zergani, Z. Tavangar, “A thorough study on the F-decoration of χ3 borophene and enhancement of anodic performance of Lithium-ion batteries”, Journal of Molecular Liquids, 319 (2020) 114343.

13- P. Mehdizadeh, Z. Tavangar, N. Shabani, M. Hamadanian “Visible light activity of nitrogen-doped TiO2 by Sol-Gel method using various nitrogen sources”, Journal of Nanostructures, 10, (2020) 307.

14- S. Tahmasebi, Z. Tavangar, M. Hamadanian, “Using of Artemesia Absinthinum, Verbascum Thapsus, Viola Odorata, Matricaria Chamomilla and Corianderum Satirum Natural Dyes in Making Dyesensitized Solar Cells”, Advanced Materials Materials and Novel Coatings, 32, (2020) 2346

15- S. L. Fani, Z. Tavangar, A. Kazempour “Boron decorated graphene nanosheet as an ultrasensitive sensor: the role of coverage”, Journal of Molecular Modeling, 25 (2019) 166.

16- Z. Hajiahmadi, Z. Tavangar, “Extensive theoretical study of corrosion inhibition efficiency of some pyrimidine derivatives on iron and the proposal of new inhibitor”, Journal of Molecular Liquids, 284 (2019) 225.

17- Z. Amaniseyed, Z. Tavangar, “Hydrogen storage on uncharged and positively charged Mg-decorated graphene”, International Journal of Hydrogen Energy, 44 (2019)3803.

18- Z. Hajiahmadi, Z. Tavangar, “Investigating the adsorption of nitrobenzene on M/Pd (1 1 1) bimetallic surface as an effective catalyst”, Applied Surface Science, 454 (2018) 343.

19- A. Payvand, Z. Tavangar, “Computational study on the functionalization of BNNC with pyrrole molecule”, Superlattices and Microstructures, 117, (2018) 373.

20- P. Mehdizadeh, Z. Tavangar, “Photocatalyst Ag@N/TiO₂ Nanoparticles: Fabrication, Characterization, and Investigation of the Effect of Coating on Methyl Orange Dye Degradation”, Journal of Nanostructures, 7, (2017) 216.

21- Z. Tavangar, M. Hamadanian, , H. Basharnavaz, “Studying the effects of the configuration of doped Al atoms on theconductive properties of boron nitride nanotube using density functional theory”, Chemical Physics Letters, 669, (2017) 29.

22- M. Malehmir, B. Khoshnevisan, Z. Tavangar, “Chirality effect on Lithiation of narrow carbon nanotubes; bond order MD and DFT studies”, Materials. Research. Express, 3, (2016) 105015.

23- M. Hamadanian, Z. Tavangar, S. Naseh ,“The modification of benzene adsorption on zigzag single-wall carbon nanotubes by carboxylation”, Materials. Research. Express, 3, (2016) 125010.

24- Z. Tavangar, M. Hamadanian, , H. Basharnavaz,“ Variation of the electronic properties of zigzag boron nitride nanotubes by Al-doping: a DFT study”, Molecular Physics, 114, (2016) 2936.

25- Z. Tavangar, N. Zareie ,“Efficiency improvement of new Tetrathionate-based dyes by enhancing donor, acceptor and bridge units, a theoretical study”, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 167 (2016) 72.

26- M. Hamadanian, Z. Tavangar, S. Naseh, “Improvement of electronic properties of carboxylated zigzag single wall carbon nanotubes by interaction with benzene derivatives”, Current Applied Physics, 15 (2015) 1593

27- M. Hamadanian, Z. Tavangar, B. Noori ,“Modification of conductive properties of (10, 0) zigzag single-walled carbon nanotubes (SWCNT) by alkali metals absorption”, Journal of Molecular Structure, 1078 (2014) 49.

28- M. Hamadanian, Z. Tavangar, B. Noori, “Modification of the electronic properties of zigzag (n=5-10) and armchair (n=3,5) carbon nanotubes by K atom adsorption”, Structural Chemistry, 25, 25 (2014) 1005

29- M. Hamadanian, Z. Tavangar, S. Naseh, “The structural and electronic properties of (10,0) zigzag Single-Wall Carbon Nanotubes modified by thiophene groups”, Chemical Physics Letters, 584 (2013) 177.

30- M. Hamadanian, B. Khoshnevisanc, F. Kalantari Fotoohd, Z. Tavangar, "Computational study of super cell Al-substituted single-walled carbon nanotubes as CO sensor", Computational Materials Science, 58 (2012) 45.

31- Z. Tavangar, " Diels–Alder [4+2] Cycloadditions of C20 with Some Diene and 1,2-Dioxo Compounds: A Theoretical Study", Journal of Nanostructure, 1 (2012) 159.

32- A. R. Ashrafi, M. Hamadanian, Z. Tavangar, H. Sabzyan, “Symmetry of a capped nanotube”, Digest Journal of Nanomaterials and Biostructures, 4 (2009), 319.

33- H. Sabzyan, Z. Tavangar, “Characterization of the flow of the CO/CO₂ gases through carbon nanotube junctions using molecular dynamic simulations”, Chemical Physics, 362 (2009), 120.

34- H. Iloukhani, Z. Tavangar, E. K. Goharshadi, “Direct determination of the intermolecular potential of Kr - N₂, Xe - N₂ and He - SF₆ from the extended principle of corresponding states”, Indian Journal of Chemistry A, 40 (2001), 185.

35- E. K. Goharshadi, Z. Mirafzali, Z. Tavangar, “Direct Determination of the Interaction Potentials of Sulphur Hexafluride-Noble Gases from the Extended Principle of Corresponding States”, Journal of the Physical Society of Japan, 67 (1998), 4296.