Author

Sadegh Afshari

Observed names: Afshari, Sadegh, S. AFSHARI, S. Afshari

Observed institutions: Damghan University, Urmia University, Azarbaijan Shahid Madani University

ORCID: 0000-0002-6411-6585

Observed ORCID: 0000-0002-6411-6585

OpenAlex ID: A5043312216

Sensing properties of pristine, Al-doped, and defected boron nitride nanosheet toward mercaptans: a first-principles study

2015 · Hassan Heidari, Sadegh Afshari, et al. · RSC Advances · 47

Synthesis, characterization, spectroscopic and theoretical studies of new zinc(II), copper(II) and nickel(II) complexes based on imine ligand containing 2-aminothiophenol moiety

2016 · Bita Shafaatian, S. Sedighe Mousavi, et al. · Journal of Molecular Structure · 34

New capability of graphene as hydrogen storage by Si and/or Ge doping: Density functional theory

2020 · Milad Ghanbari, Sadegh Afshari, et al. · International Journal of Hydrogen Energy · 12

A Promising Material for Selective Sensing Biomarker Gas Molecules

2020 · Ameneh Izadi, Shadi Masoumi, et al. · Russian Journal of Physical Chemistry A · 8

Sensing C3–C10 Straight Chain Aldehydes Biomarker Gas Molecules: Density Functional Theory

2021 · Samira Kaghazkonani, Sadegh Afshari · Russian Journal of Physical Chemistry B · 7

Preparation and physical and thermodynamic characteristics of proline-based natural ternary deep eutectic solvents: A combined experimental and theoretical investigation

2025 · Parisa Elyasian, Morteza Jabbari, et al. · Materials Research Bulletin · 6

CO2 and ethylene epoxide on silicon-doped CNT as metal-free catalyst to produce cyclic ethylene carbonate: a computational study

2022 · Hedieh Mohammadzadeh, Sadegh Afshari · Molecular Physics · 5

The quantum transport of pyrene and its silicon-doped variant: a DFT-NEGF approach

2015 · A. Rastkar, B. Ghavami, et al. · Journal of Computational Electronics · 5

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Rectification Ratio Enhancement and Functionalized Pyrene: DFT+NEGF

2018 · Sadegh Afshari, Jaber Jahanbin Sardroodi · Physical chemistry research · 2

Multi switching behavior of hydrogen passivated silicene as molecular junction: A DFT-NEGF approach

2014 · Jaber Jahanbin Sardroodi, Sadegh Afshari, et al. · Journal of Theoretical and Computational Chemistry · 2

Calix-like molecules with outstanding optical properties designed based on the Aza-BODIPY molecule: a DFT study

2024 · Mahvash Yarahmadi, Hamid Reza Shamlouei, et al. · Molecular Simulation · 1

A First Principles Study of Interaction of Water with Boron–Nitrogen Doped Adamantane Nano Block

2015 · Alireza Rastkar, Jafar Azamat, et al. · Journal of Computational and Theoretical Nanoscience · 1

A Theoretical Investigation of Substituent Effects on Structure and Nqr Parameters of Phenacyl Phenyl Sulfide Derivatives

2010 · S. AFSHARI, A. HASSANZADEH, et al. · Journal of Theoretical and Computational Chemistry · 1

Apigenin-loaded polyester bowtie dendrimer as a nanocarrier: a theoretical investigation

2026 · Nastaran Nazemi, Sadegh Afshari, et al. · Results in Chemistry

Investigation on Pure and Cr, Fe, Ni and Si-doped Fullerene Nanostructures for Enhanced Warfarin Delivery: A DFT Study

2025 · Sima Esmailpour, Sadegh Afshari, et al. · Research Square

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A Study on the Corrosion Reduction of Carbon Steel Surface Through the Production of Schottky Diode by Thermal Diffusion of Cobalt

2024 · Nazanin Norollahi Moghadam, Sayyed Ahmad Nabavi-Amri, et al. · Chemistry Africa

Adsorption and Decomposition of Water Molecules on Al and/or Ga-Doped Qraphene at Ambient Temperature: Density Functional Theory

2024 · Sadegh Afshari · Materials chemistry horizons.

Decomposition of Ethane as a Hydrogen Rich Molecule on the Aluminum-Doped Boron Nitride Nanotube: A DFT Approach

2023 · Sahar Jalili-Manesh, Sadegh Afshari · NANO

Theoretical Study of the Correlation between 14N NQCC and Its Partial Atomic Charge in Amino Derivatives of Adamantane

2018 · Sadegh Afshari · Physical chemistry research

Electronic Behavior of Doped Graphene Nanoribbon Device: NEGF+DFT

2017 · Sadegh Afshari, Jaber Jahanbin Sardroodi, et al. · Journal of Nanoanalysis

CCDC 1444508: Experimental Crystal Structure Determination

2016 · Shafaatian, Bita, Mousavi, S. Sedighe, et al. · The Cambridge Structural Database

Density functional theory study of the adsorption of NO2 molecule on Nitrogen-doped TiO2 anatase nanoparticles

2015 · Alireza Rastkar Ebrahimzadeh, Abbasi Moosa, et al. · International journal of nanodimension.

Short Communication: Theoretical Computation of the Quantum Transport of Zigzag Mono-layer Graphenes With Various Z-direction Widths

2015 · Jaber Jahanbin Sardroodi, Sadegh Afshari, et al. · International journal of nanodimension.

Works count: 24

Citation count: 131

H-index: 6

I10-index: 3