@iust.ac.ir
School of Advanced Technologies
Associate Professor
MEMS and NEMS, Sensors, Graphene, Energy harvesting, Molecular Dynamics
Scopus Publications
Scholar Citations
Scholar h-index
Scholar i10-index
Fatemehsadat Abedheydari, Sadegh Sadeghzadeh, Mohammad Saadatbakhsh, Amirhossein Heydariyan, and Elnaz Khakpour
Springer Science and Business Media LLC
Masoumeh Attari, Jafar Mahmoudi, and Sadegh Sadeghzadeh
Springer Science and Business Media LLC
Farzane Hasheminia and Sadegh Sadeghzadeh
Elsevier BV
Ali Ghavipanjeh and Sadegh Sadeghzadeh
Springer Science and Business Media LLC
AbstractIn this article, the formation of laser-induced graphene on the two natural polymers, cellulose, and lignin, as precursors was investigated with molecular dynamics simulations and some experiments. These eco-friendly polymers provide significant industrial advantages due to their low cost, biodegradability, and recyclable aspects. It was discovered during the simulation that LIG has numerous defects and a porous structure. Carbon monoxide, H2, and water vapor are gases released by cellulose and lignin substrates. H2O and CO are released when the polymer transforms into an amorphous structure. Later on, as the amorphous structure changes into an ordered graphitic structure, H2 is released continuously. Since cellulose monomer has a higher mass proportion of oxygen (49%) than lignin monomer (29%), it emits more CO. The LIG structure contains many 5- and 7-carbon rings, which cause the structure to have bends and undulations that go out of the plane. In addition, to verify the molecular dynamics simulation results with experimental tests, we used a carbon dioxide laser to transform filter paper, as a cellulose material, and coconut shell, as a lignin material, into graphene. Surprisingly, empirical experiments confirmed the simulation results.
Elnaz Khakpour and Sadegh Sadeghzadeh
Royal Society of Chemistry (RSC)
This paper reports a flexible and wearable piezoresistive strain sensor composed of the LIG/PDMS nanocomposite.
Ali Ghavipanjeh and Sadegh Sadeghzadeh
Elsevier BV
Sadegh Sadeghzadeh, Mohammadreza Hamzavi, Farzane Hasheminia, and Hamidreza Khashei
Elsevier BV
Sadegh Sadeghzadeh, Lida Badrinezhad, and Kasra Einalipour Eshkalak
Elsevier BV
Mozhdeh Mirakhory, Mohammad Mahdi Khatibi, and Sadegh Sadeghzadeh
Springer Science and Business Media LLC
Ali Ghavipanjeh and Sadegh Sadeghzadeh
Elsevier BV
Maryam Jafari, Jafar Mahmoudi, Sadegh Sadeghzadeh, and Mohammad Ali Abdol
Elsevier BV
Sadegh Sadeghzadeh, Mohammadreza Hamzavi, and Farzane Hasheminia
Springer Science and Business Media LLC
Maryam Jafari, Jafar Mahmoudi, and Sadegh Sadeghzadeh
Elsevier BV
Mohammadreza Moradi, Jafar Mahmoudi, and Sadegh Sadeghzadeh
American Chemical Society (ACS)
Mohammad Aghajani Hashjin, Shadi Zarshad, Hosein Banna Motejadded Emrooz, and Sadegh Sadeghzadeh
Springer Science and Business Media LLC
AbstractAdsorption-based atmospheric water harvesting has emerged as a compelling solution in response to growing global water demand. In this context, Metal–organic frameworks (MOFs) have garnered considerable interest due to their unique structure and intrinsic porosity. Here, MOF 801 was synthesized using two different methods: solvothermal and green room temperature synthesis. Comprehensive characterization indicated the formation of MOF-801 with high phase purity, small crystallite size, and excellent thermal stability. Nitrogen adsorption–desorption analysis revealed that green-synthesized MOF-801 possessed an 89% higher specific surface area than its solvothermal-synthesized counterpart. Both adsorbents required activation at a minimum temperature of 90 °C for optimal adsorption performance. Additionally, green-synthesized MOF-801 demonstrated superior adsorption performance compared to solvothermal-synthesized MOF-801, attributed to its small crystal size (around 66 nm), more hydrophilic functional groups, greater specific surface area (691.05 m2/g), and the possibility of having a higher quantity of defects. The maximum water adsorption capacity in green-synthesized MOF-801 was observed at 25 °C and 80% relative humidity, with a value of 41.1 g/100 g, a 12% improvement over the solvothermal-synthesized MOF-801. Remarkably, even at a 30% humidity level, green-synthesized MOF-801 displayed a considerable adsorption capacity of 31.5 g/100 g. Importantly, MOF-801 exhibited long-term effectiveness in multiple adsorption cycles without substantial efficiency decline.
Maryam Hajianzadeh, Jafar Mahmoudi, and Sadegh Sadeghzadeh
Springer Science and Business Media LLC
AbstractMethane is the main component of shale gas and is adsorbed in shale pores. Methane adsorption not only affects the estimation of shale gas reserves but also reduces extraction efficiency. Therefore, investigating the behavior of methane adsorption in shale reservoirs is important for evaluating shale gas resources, as well as understanding its desorption and displacement from the nanochannels of shale gas reservoirs. In this research, molecular dynamics simulations were used to investigate the adsorption behavior of methane gas in organic shale pores made of graphenylene, followed by its displacement by CO2 and N2 injection gases. The effects of pore size, pressure, and temperature on adsorption were examined. It was observed that increasing the pore size at a constant pressure led to a decrease in the density of adsorbed methane molecules near the pore surface, while a stable free phase with constant density formed in the central region of the nanopore. Moreover, adsorption increased with increasing pressure, and at pressures ranging from 0 to 3 MPa, 15 and 20 Å pores exhibited lower methane adsorption compared to other pores. The amount of adsorption decreased with increasing temperature, and the observed adsorption isotherm followed the Langmuir adsorption isotherm. The mechanism of methane displacement by the two injected gases differed. Carbon dioxide filled both vacant adsorption sites and directly replaced the adsorbed methane. On the other hand, nitrogen only adsorbed onto the vacant sites and, by reducing the partial pressure of methane, facilitated the displacement of methane.
Moharram Habibnejad Korayem, Mahboube Mehrabani, and Sadegh Sadeghzadeh
Elsevier BV
Zahra Ahrestani, Sadegh Sadeghzadeh, and Hosein Banna Motejadded Emrooz
Royal Society of Chemistry (RSC)
Correction for ‘An overview of atmospheric water harvesting methods, the inevitable path of the future in water supply’ by Zahra Ahrestani et al., RSC Adv., 2023, 13, 10273–10307, https://doi.org/10.1039/D2RA07733G.
Zahra Ahrestani, Sadegh Sadeghzadeh, and Hosein Banna Motejadded Emrooz
Royal Society of Chemistry (RSC)
Although science has made great strides in recent years, access to fresh water remains a major challenge for humanity due to water shortage for two-thirds of the world's population.
Mozhdeh Mirakhory, Mohammad Mahdi Khatibi, Sadegh Sadeghzadeh, and Seyed Mahmoud Mortazavi
Elsevier BV
Mobin Safarzadeh Khosrowshahi, Mohammad Ali Abdol, Hossein Mashhadimoslem, Elnaz Khakpour, Hosein Banna Motejadded Emrooz, Sadegh Sadeghzadeh, and Ahad Ghaemi
Springer Science and Business Media LLC
AbstractBiomass-derived porous carbons have been considered one of the most effective adsorbents for CO2 capture, due to their porous structure and high specific surface area. In this study, we successfully synthesized porous carbon from celery biomass and examined the effect of external adsorption parameters including time, temperature, and pressure on CO2 uptake in experimental and molecular dynamics (MD) simulations. Furthermore, the influence of carbon’s surface chemistry (carboxyl and hydroxyl functionalities) and nitrogen type on CO2 capture were investigated utilizing MD simulations. The results showed that pyridinic nitrogen has a greater tendency to adsorb CO2 than graphitic. It was found that the simultaneous presence of these two types of nitrogen has a greater effect on the CO2 sorption than the individual presence of each in the structure. It was also revealed that the addition of carboxyl groups (O=C–OH) to the carbon matrix enhances CO2 capture by about 10%. Additionally, by increasing the simulation time and the size of the simulation box, the average absolute relative error for simulation results of optimal structure declined to 16%, which is an acceptable value and makes the simulation process reliable to predict adsorption capacity under various conditions.
Hamidreza Hassanloo, Sadegh Sadeghzadeh, and Rouhollah Ahmadi
Elsevier BV
Mehrdad Roshan, Ali Reza Akbarzadeh, Sadegh Sadeghzadeh, and Ali Maleki
Elsevier BV
Mojtaba Safdari, Rouhollah Ahmadi, and Sadegh Sadeghzadeh
Elsevier BV
Hossein Tafrishi, Sadegh Sadeghzadeh, and Rouhollah Ahmadi
Royal Society of Chemistry (RSC)
Phase change materials (PCM) have had a significant role as thermal energy transfer fluids and nanofluids and as media for thermal energy storage.