J. J. Sardroodi

PROFILE

Homepage
No homepage is listed.
ORCID
No ORCID is listed.
Affiliations
No affiliations are listed.
Aliases
J J Sardroodi, Jaber Jahanbin Sardroodi, J. J. Sardroodi, Jaber J. Sardroodi, J. Jahanbin Sardroodi, Jaber Jahhanbin Sardroodi
Publication record
148 papers · 2,388 citations · H-index 25

PAPERS

Assessment of the nanostructural and physicochemical properties of amine-based deep eutectic solvents for extraction processes
20260 citationsauthor #4
Quantum theory calculations (DFT method) of hydrogen-bond charge transfer complex derived from p-phenylenediamine and picric acid to understand the molecular structure from various thermodynamic, electronic, and spectroscopic aspects
20260 citationsauthor #5
A computational perspective on the changes made in the structural, optical, and electronic properties of melamine and picric acid/quinol with the formation of charge transfer complexes
20257 citationsauthor #4
Improving the lipophilicity of piroxicam by silyl groups and its confirmation by RP-HPLC and computational chemistry
20251 citationsauthor #3
A DFT study of the effect of strain on the structural and electronic properties of perovskite APbBr3 (A = K, Rb, and Cs)
20253 citationsauthor #2
Phenol adsorption in wastewater by calcined magnesium–aluminum layered double hydroxide–graphene composite: optimization and mechanistic evaluation
20250 citationsauthor #4
Finite particle size effects on dynamic and structural properties of deep eutectic solvents based on caprylic acid: From a perspective of molecular dynamics simulation
20253 citationsauthor #3
Potential use of deep eutectic solvents based on sugar as green separation media for the acidic gases capture process from the gas mixtures: molecular dynamics simulation and COSMO-RS insights
20250 citationsauthor #3
The effect of increasing water on the physicochemical features of thymol: DL-menthol based natural deep eutectic solvent (DES)
20252 citationsauthor #2
Correction: A DFT study of the effect of strain on the structural and electronic properties of perovskite APbBr3 (A = K, Rb, and Cs)
20250 citationsauthor #2
Molecular Insights into Drug–Deep Eutectic Solvent Systems for Flavone Extraction Using MD and COSMO-RS
20251 citationsauthor #3
Photocurrent Enhancement in a Generalized Quantum Photocell with Multi-Donor Architectures
20250 citationsauthor #4
A computational approach (MD simulation and COSMO-RS) for evaluating the extraction capability of hydrophobic deep eutectic solvent based on thymol and caprylic acid in aqueous solutions of a new class of synthetic insecticides
20251 citationsauthor #3
Molecular structures and optical properties of Schiff bases derived from pyrrole alkyl ketones and 1-aminophethalazine: DFT calculations
20248 citationsauthor #3
Investigation of electronic and topological properties of S/Bi-terminated short stanene nanoribbons: a DFT study
20241 citationsauthor #2
Magnetic cobalt metal organic framework for photocatalytic water splitting hydrogen evolution
202413 citationsauthor #3
A computational probe into the physicochemical properties of cyclodextrin-based deep eutectic solvents for extraction processes
20246 citationsauthor #3
Tuning structural and electronic properties of Stanene-based nanotube by strain and transverse electric field: First-principles investigation
20240 citationsauthor #3
Sensitivity of photovoltaic cells efficiency to initial conditions in various aggregation designs
20241 citationsauthor #4
Mechanism of deep eutectic solvent-mediated microalgal biomass disintegration for enhanced lutein extraction
202414 citationsauthor #7
First Principles Study of Photocatalytic Water Splitting by M$_1$M$_2$CO$_2$ (M$_1$ = Zr,Hf; M$_2$ = Hf,Ti,Sc) MXenes
20230 citationsauthor #3
Potential of Amine-based DES for Separation of CO2 and H2S from NG: Study of Temperature Effect
202318 citationsauthor #2
Effect of water addition on caprylic acid: Quaternary ammonium salts (QAS) deep eutectic solvents: Characterization of their structural and dynamical properties.
20239 citationsauthor #3
Li, Na and K Storage Capacity of a Novel 2D Graphitic Carbon-Nitride Membrane, C9N4:A Computational Approach
20233 citationsauthor #3
Chemiresistive room temperature NO2 sensor based on nitrogen doped zinc oxide nanowires
20238 citationsauthor #4
Differences in the Effect of Water on Deep Eutectic Solvents Based on Choline Chloride/Lauric Acid and Choline Chloride/Myristic Acid: Molecular Dynamics Simulations at Three DifferentTemperatures
20233 citationsauthor #3
Assessment of the properties of natural-based chiral deep eutectic solvents for chiral drug separation: insights from molecular dynamics simulation.
20239 citationsauthor #3
Electric Field Effects on the Structural and Dynamical Properties of a Glyceline Deep Eutectic Solvent
202217 citationsauthor #2
Oxidation of methane and ethylene over Al incorporated N-doped graphene: A comparative mechanistic DFT study.
20222 citationsauthor #3
Modeling the Interaction of Anticancer Protein Azurin with the Nanosheets for Medical Applications
20222 citationsauthor #2
Ternary Liquid-Phase Equilibria of an Azeotropic Mixture (Heptane + Isopropyl Alcohol) with Deep Eutectic Solvents
20222 citationsauthor #2
Quantum DFT methods to explore the interaction of 1-Adamantylamine with pristine, and P, As, Al, and Ga doped BN nanotubes
202216 citationsauthor #6
Adsorption of SO2 air pollutant gas molecule on the pure and Al-doped graphene nano sheet: A DFT study
20220 citationsauthor #2
A computational study of CH4 storage on Sc functionalized C48B12 heterofullerene
20223 citationsauthor #3
The adsorption of NO2, SO2, and O3 molecules on the Al-doped stanene nanotube: a DFT study
202214 citationsauthor #2
Structural and Dynamic Properties of Hydrophobic Eutectic Solvents Based on Menthol and Fatty Acids: a Molecular Dynamics Simulation Study
20211 citationsauthor #2
Experimental study and thermodynamic modeling of phase equilibria of systems containing cyclohexane, alcohols (C4 and C5), and deep eutectic solvents
202114 citationsauthor #2
Nitrogen incorporated zinc oxide thin film for efficient ethanol detection
202119 citationsauthor #3
Are choline chloride-based deep eutectic solvents better than methyl diethanolamine solvents for natural gas Sweetening? theoretical insights from molecular dynamics simulations
202144 citationsauthor #4
NO electrochemical reduction over Si-N4 embedded graphene: A DFT investigation
202132 citationsauthor #3
A mechanistic first-principles study on N2 reduction reaction catalyzed by Ni4 supported defective graphene.
20214 citationsauthor #3
Molecular dynamics simulation study of gold nanosheet as drug delivery vehicles for anti-HIV-1 aptamers
20215 citationsauthor #2
Molecular dynamics simulation of separation of water/methanol and water/ethanol mixture using boron nitride nanotubes
20219 citationsauthor #3
Exploring the structural and transport properties of glyceline DES-Based boron nitride nanotube Nanofluid: The effects of nanotube diameter
202134 citationsauthor #4
Structure and Dynamics of Thymol - Fatty Acids Based Deep Eutectic Solvent Investigated by Molecular Dynamics Simulation
202139 citationsauthor #2
The study of structure and interactions of glucose-based natural deep eutectic solvents by molecular dynamics simulation
202131 citationsauthor #2
Functionalized boron nitride nanosheet as a membrane for removal of Pb2+ and Cd2+ ions from aqueous solution
202123 citationsauthor #2
Molecular dynamics simulations of choline chloride and phenyl propionic acid deep eutectic solvents: Investigation of structural and dynamics properties.
202155 citationsauthor #4
Activation of the methane C–H bond by Al- and Ga-doped graphenes: a DFT investigation
20211 citationsauthor #3
Theoretical insights into oxygen reduction reaction catalyzed by phosphorus-doped divacancy C3N nanosheet.
20206 citationsauthor #2
A Molecular Dynamics Study of the Inhibition of Monomeric HIV‐1 Protease as An Alternative to Overcome Drug Resistance by RNA Aptamers as A Therapeutic Tool
20203 citationsauthor #2
The Interaction of Curcumin and Rosmarinic Acid with Non‐Amyloid‐Component Domain of Alpha‐Synuclein: A Molecular Dynamics Study
20203 citationsauthor #2
The Boron Nitride Nanotube, an Ideal Host Structure for Efficient Immobilization and Delivery of RNA Aptamer: Classical Molecular Dynamics Simulation
20203 citationsauthor #2
CuN3 doped graphene as an active electrocatalyst for oxygen reduction reaction in fuel cells: A DFT study.
202022 citationsauthor #3
Adsorption of CO and NO molecules on Al, P and Si embedded MoS2 nanosheets investigated by DFT calculations
201991 citationsauthor #3
TiO2/GRAPHENE OXIDE HETEROSTRUCTURES FOR GAS-SENSING: INTERACTION OF NITROGEN DIOXIDE WITH THE PRISTINE AND NITROGEN MODIFIED NANOSTRUCTURES INVESTIGATED BY DFT
20193 citationsauthor #2
Electrochemical Reduction of N 2 to NH 3 Using a Co‐Atom Stabilized on Defective N‐Doped Graphene: A Computational Study
201914 citationsauthor #3
Adsorption of O3, SO2 and SO3 gas molecules on MoS2 monolayers: A computational investigation
2019245 citationsauthor #2
Molecular Dynamics Investigation of the Interactions Between RNA Aptamer and Graphene-Monoxide/Boron-Nitride Surfaces: Applications to Novel Drug Delivery Systems
201919 citationsauthor #2
The adsorption of sulfur trioxide and ozone molecules on stanene nanosheets investigated by DFT: Applications to gas sensor devices
2019120 citationsauthor #2
A highly specific heterostructure composed of N-doped TiO 2 anatase nanoparticles and double layer Au for detection of thiophene molecule: A DFT study
20180 citationsauthor #2
Investigation of the adsorption of ozone molecules on TiO 2 /WSe 2 nanocomposites by DFT computations: Applications to gas sensor devices
2018152 citationsauthor #2
Exploration of the adsorption of caffein molecule on the TiO2 nanostructures: A density functional theory study
20181 citationsauthor #2
Electronic structure tuning of stanene monolayers from DFT calculations: Effects of substitutional elemental doping
201860 citationsauthor #2
An Innovative Method for the Removal of Toxic SOx Molecules from Environment by TiO2/Stanene Nanocomposites: A First-Principles Study
201824 citationsauthor #2
A highly sensitive chemical gas detecting device based on N-doped ZnO as a modified nanostructure media: A DFT+NBO analysis
201857 citationsauthor #2
Exploration of sensing of nitrogen dioxide and ozone molecules using novel TiO2/Stanene heterostructures employing DFT calculations
2018103 citationsauthor #2
Theoretical study of the structural and electronic properties of novel stanene-based buckled nanotubes and their adsorption behaviors
201827 citationsauthor #2
Application of TiO2-supported Au for ozone molecule removal from environment: a van der Waals-corrected DFT study
20185 citationsauthor #2
Density functional theory investigation of the interactions between the buckled stanene nanosheet and XO2 gases (X = N, S, C)
201861 citationsauthor #2
ADSORPTION OF THIOPHENE ON N-DOPED TiO2/MoS2 NANOCOMPOSITES INVESTIGATED BY VAN DER WAALS CORRECTED DENSITY FUNCTIONAL THEORY
20182 citationsauthor #2
Density functional theory study of the adsorption of toxic large molecules on nitrogen modified TiO2 anatase nanoparticles
20180 citationsauthor #2
Structural and electronic properties of nitrogen-doped TiO2 nanocrystals and their effects on the adsorption of CH2O and SO2 molecules investigated by DFT
20187 citationsauthor #2
Rectification Ratio Enhancement and Functionalized Pyrene: DFT+NEGF
20182 citationsauthor #2
Electronic Behavior of Doped Graphene Nanoribbon Device: NEGF+DFT
20171 citationsauthor #2
Theoretical investigation of the adsorption behaviors of CO and CO2 molecules on the nitrogen-doped TiO2 anatase nanoparticles: Insights from DFT computations
20178 citationsauthor #2
Highly Sensitive Detection of H2S Molecules Using a TiO2-Supported Au Overlayer Based Nanosensors: A Van Der Waals Corrected DFT Study
20170 citationsauthor #2
Van der Waals corrected DFT study on the adsorption behaviors of TiO2 anatase nanoparticles as potential molecule sensor for thiophene detection
20175 citationsauthor #2
Adsorption Behaviors of Curcumin on N-doped TiO2 Anatase Nanoparticles: Density Functional Theory Calculations
20170 citationsauthor #2
The diode characteristics and rectification effect of three nanodevice containing graphene and oxidized graphene nanoribbons: A density functional theory + non-equilibrium Green’s function study
20174 citationsauthor #3
Molecular design of O3 and NO2 sensor devices based on a novel heterostructured N-doped TiO2/ZnO nanocomposite: a van der Waals corrected DFT study
201722 citationsauthor #2
A novel strategy for SOx removal by N-doped TiO2/WSe2 nanocomposite as a highly efficient molecule sensor investigated by van der Waals corrected DFT
201750 citationsauthor #2
Adsorption of toxic SOx molecules on heterostructured TiO2/ZnO nanocomposites for gas sensing applications: a DFT study
201721 citationsauthor #2
Adsorption and dissociation of SO 3 on N-doped TiO 2 supported Au overlayers investigated by van der Waals corrected DFT
201722 citationsauthor #2
A van der WAALS CORRECTED DFT STUDY OF CHEMICAL SENSING OF SULFUR DIOXIDE MOLECULE BY NITROGEN-DOPED Au DECORATED TiO2 NANOPARTICLES
20170 citationsauthor #2
Computational studies on the interaction of vitamin C (ascorbic acid) with nitrogen modified TiO2 anatase nanoparticles
20170 citationsauthor #2
Density functional theory (DFT) study of O3 molecules adsorbed on nitrogen-doped TiO2/MoS2 nanocomposites: applications to gas sensor devices
20174 citationsauthor #2
Adsorption behaviors of curcumin on the N-doped TiO2 anatase nanoparticles using density functional theory simulations
20170 citationsauthor #2
A theoretical investigation of the interaction of Immucillin-A with N-doped TiO2 anatase nanoparticles: Applications to nanobiosensors and nanocarriers
20175 citationsauthor #2
A novel nitrogen dioxide gas sensor based on TiO2-supported Au nanoparticles: a van der Waals corrected DFT study
201726 citationsauthor #2
Adsorption and dissociation of H2S on nitrogen-doped TiO2 anatase nanoparticles: Insights from DFT computations
201726 citationsauthor #2
A computational study of the electronic structure and the chemical activity of curcumin and some novel curcuminoids by density functional theory
20176 citationsauthor #2
An innovative gas sensor system designed from a sensitive nanostructured ZnO for the selective detection of SOx molecules: a density functional theory study
201792 citationsauthor #2
Structural and electronic properties of CO molecule adsorbed on the TiO2 supported Au overlayers: Insights from density functional theory computations
20170 citationsauthor #2
Adsorption of H2S molecule on TiO2/Au nanocomposites: A density functional theory study
20174 citationsauthor #2
Adsorption of H 2 S molecule on TiO 2 / Au nanocomposites : A density functional theory study
20171 citationsauthor #2
A theoretical study on the adsorption behaviors of Ammonia molecule on N-doped TiO2 anatase nanoparticles: Applications to gas sensor devices
201610 citationsauthor #2
Ab Initio Study of Structure Pyridinium-Based Ionic Liquids and Derivatives
20162 citationsauthor #4
N-doped TiO2 anatase nanoparticles as a highly sensitive gas sensor for NO2 detection: insights from DFT computations
201689 citationsauthor #2
TiO2/Gold nanocomposite as an extremely sensitive molecule sensor for NO2 detection: A DFT study
20165 citationsauthor #2

TIMELINE

2002 23 citations

2003 27 citations

2004 9 citations

2005 39 citations

2006 39 citations

2008 0 citations

2011 10 citations

2012 34 citations

2013 3 citations

2014 71 citations

2015 37 citations

2016 299 citations

2017 297 citations

2018 501 citations

2019 492 citations

2020 37 citations

2021 311 citations

2022 56 citations

2023 50 citations

2024 43 citations

2025 18 citations

2026 0 citations

J. J. Sardroodi

PROFILE

PAPERS

TIMELINE

COAUTHOR MAP

CONCEPT FOOTPRINT