Zabiollah Mahdavifar

Z. Mahdavifar, A. Farrokhnia, M. Hamzehloo, 2021, Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering.

Electronic and stability characters of endohedral Zn@Sin and exohedral SinHn (n = 20, 30, 40, 50, 60) fullerenes: A DFT approach

Azar Ostovan, M. Poulad, Zabiollah Mahdavifar, 2016 .

Theoretical approach into potential possibility of efficient NO 2 detection via B 40 and Li@B 40 fullerenes

E. Shakerzadeh, Zabiollah Mahdavifar, Zeinab Maniei, 2018 .

A comparative theoretical study of CO2 sensing using inorganic AlN, BN and SiC single walled nanotubes

E. Shakerzadeh, Nasibeh Abbasi, Zabiollah Mahdavifar, 2013 .

Tuning of Elastic Properties of Nanotubes by Imposing a Transverse Electric Field: Computational Approach

S. M. Hashemianzadeh, Z. Mahdavifar, Kiana Gholamjani Moghaddam, 2016 .

Theoretical prediction of ozone sensing using pristine and endohedral metalloboron B80 fullerenes

Z. Mahdavifar, M. Poulad, Zabiollah Mahdavifar, 2014 .

Electro-Optical Properties and Structural Stability Perspectives of M3N and M2C2 (M = Sc, La) Clusters Encapsulated in B80 Fullerene: A Density Functional Theory Study

Z. Mahdavifar, Mina Ershadifar, A. Farrokhnia, 2017, Journal of Electronic Materials.

Exploring the electro‐optical properties of conjugated polymers based on oligo‐selenophene and oligo(3,4‐ethylenedioxyselenophene)

E. Shakerzadeh, Z. Mahdavifar, S. Tajdinan, 2019, Applied Organometallic Chemistry.

Modifying the electronic and geometrical properties of mono/bi-layer graphite-like BC2N via alkali metal (Li, Na) adsorption and intercalation: computational approach

S. Noorizadeh, F. Shojaei, Najmeh Janatipour, 2019, New Journal of Chemistry.

Theoretical investigation of ethane and ethene monitoring using pristine and decorated aluminum nitride and silicon carbide nanotubes

M. Abbasi, Zabiollah Mahdavifar, Maryam Haghbyan, 2014 .

The influence of Cu-doping on aluminum nitride, silicon carbide and boron nitride nanotubes’ ability to detect carbon dioxide; DFT study

Zabiollah Mahdavifar, Nasibeh Abbasi, Nasibeh Abbasi, 2014 .

Theoretical investigation of pristine and functionalized AlN and SiC single walled nanotubes as an adsorption candidate for methane

Zabiollah Mahdavifar, M. Haghbayan, 2012 .

Theoretical prediction of maximum capacity of C₈₀ and Si₈₀ fullerenes for noble gas storage.

Zabiollah Mahdavifar, 2014, Journal of molecular graphics & modelling.

Adsorption of H2 on Ga24N24 cluster; A density functional theory investigation

S. Noorizadeh, Zabiollah Mahdavifar, M. Aarabi, 2017 .

Achieved negative differential resistance behavior of Si/B-substituted into a C6 chain sandwiched between capped carbon nanotube junctions

G. Schreckenbach, S. Noorizadeh, Z. Mahdavifar, 2022, RSC advances.

Theoretical prediction of encapsulation and adsorption of platinum-anticancer drugs into single walled boron nitride and carbon nanotubes

Z. Mahdavifar, Rezvan Moridzadeh, Zabiollah Mahdavifar, 2014, Journal of Inclusion Phenomena and Macrocyclic Chemistry.

Can Fluorine form Halogen Bond? Investigation of Halogen Bonds through Steric Charge

S. Noorizadeh, Zabiollah Mahdavifar, Akram Mahmudi Koohi, 2017 .

Length–dependence of conductance in benzothiadiazole molecular wires between graphene nanoribbon electrodes: Effect of conformational changes

Azar Ostovan, M. Bamdad, Zabiollah Mahdavifar, 2018, Journal of Molecular Liquids.

Design and Characterization of Novel 2D TlPt2X3 (X = S, Se, Te) Semiconductor Monolayers for Electronic and Optoelectronic Applications

Zabiollah Mahdavifar, Behnaz Abyaz, Fatemeh Zamanian, 2023, Materials Today Communications.