Erkartal, Mustafa
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Erkartal, Mustafa
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01. Abdullah Gül University
Mühendislik Fakültesi
Malzeme Bilimi ve Nanoteknoloji Mühendisliği
Mühendislik Fakültesi
Malzeme Bilimi ve Nanoteknoloji Mühendisliği
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Former Staff
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Sustainable Development Goals
13
CLIMATE ACTION
1
Research Products
17
PARTNERSHIPS FOR THE GOALS
0
Research Products
8
DECENT WORK AND ECONOMIC GROWTH
0
Research Products
9
INDUSTRY, INNOVATION AND INFRASTRUCTURE
1
Research Products
12
RESPONSIBLE CONSUMPTION AND PRODUCTION
0
Research Products
16
PEACE, JUSTICE AND STRONG INSTITUTIONS
0
Research Products
11
SUSTAINABLE CITIES AND COMMUNITIES
0
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1
NO POVERTY
0
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6
CLEAN WATER AND SANITATION
0
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10
REDUCED INEQUALITIES
0
Research Products
14
LIFE BELOW WATER
1
Research Products
15
LIFE ON LAND
0
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5
GENDER EQUALITY
0
Research Products
4
QUALITY EDUCATION
0
Research Products
7
AFFORDABLE AND CLEAN ENERGY
6
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3
GOOD HEALTH AND WELL-BEING
0
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2
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This researcher does not have a Scopus ID.
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Scholarly Output
19
Articles
17
Views / Downloads
1237/608
Supervised MSc Theses
1
Supervised PhD Theses
1
WoS Citation Count
488
Scopus Citation Count
506
WoS h-index
11
Scopus h-index
11
Patents
0
Projects
1
WoS Citations per Publication
25.68
Scopus Citations per Publication
26.63
Open Access Source
5
Supervised Theses
2
| Journal | Count |
|---|---|
| ACS Applied Materials & Interfaces | 3 |
| Computational Materials Science | 2 |
| Chemical Communications | 1 |
| Chemistryselect | 1 |
| Chemphyschem | 1 |
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19 results
Scholarly Output Search Results
Now showing 1 - 10 of 19
Article Citation - WoS: 29Citation - Scopus: 31Pressure-Induced Amorphization, Mechanical and Electronic Properties of Zeolitic Imidazolate Framework (ZIF-8)(Elsevier Science SA, 2020) Erkartal, Mustafa; Durandurdu, MuratAb initio molecular dynamics (AIMD) simulations are carried out to probe the high-pressure behavior of ZIF-8 over wide pressure-range. Under compression, the enormous distortions in the ZnN4 tetrahedral units lead to a crystal-to-amorphous phase transition at around 3 GPa. During the amorphization process, the Zn-N coordination is retained. No other phase change but a possible fracture of the system is proposed above 10 GPa. Depending on released pressures, amorphous states with different densities are recovered. Yet when the applied pressure is released just before the amorphization, the rotations of imidazolate linkers (swing effect) cause an isostructural crystal-to-crystal phase transition, in agreement with experiments. In the tensile regime, no phase transition is perceived up to -2.75 GPa at which point the structural failure is observed. The crystal-amorphous phase transitions are also discovered at around 4 GPa under uniaxial compressions. The amorphous structures formed under uniaxial stress are about 20% denser than the one formed under the hydrostatic pressure. The average Young's modulus and Poisson's ratio of ZIF-8 are estimated to be around 5.6 GPa and 0.4, respectively. Interestingly, the tensile strength of ZIF-8 is found to be about 50% greater than its compressive strength. This paper shows that the experimentally observed phase transitions can be successfully reproduced with a clear explanation about the transition mechanism(s) at the atomistic level and all mechanical properties can be accurately calculated for a given ZIF structure by using AIMD simulations.Article Citation - WoS: 104Citation - Scopus: 109Proton Conducting Poly(Vinyl Alcohol) (PVA)/Poly (2-Acrylamido Sulfonic Acid) (PAMPS)/Zeolitic Imidazolate Framework (ZIF) Ternary Composite Membrane(Elsevier, 2016) Erkartal, Mustafa; Usta, Hakan; Citir, Murat; Sen, UnalThe design, synthesis and characterization of novel proton exchange membranes (PEMs) are of significant scientific and technological importance for the realization of fuel cells, actuators, and sensors. Here, we demonstrate a novel ternary composite membrane consisting of poly(vinyl alcohol) (PVA), poly (2-acrylamido-2-methylpropane sulfonic acid) (PAMPS), zeolitic imidazolate framework-8 (ZIF-8), which is prepared by physical blending and casting methods. To enhance the water management of the membranes, in situ chemical cross-linking is carried out by glutaraldehyde (GA). During the characterization of the new membranes, FT-IR is used for intermolecular and inter-polymer interactions between different components of the membrane, SEM is used to identify morphology, XRD is used to prove the presence of ZIF-8 nanoparticles, and finally TGA is used for thermal stability. The proton conductivity of the membranes is found to increase with temperature and also with the increasing content of PAMPS. The highest proton conductivity under fully hydrated state at 80 degrees C is measured as 0.134 S cm(-1) for PVA: PAMPS: ZIF-8 (55:40:5) composition. In this study, it is clearly shown that ZIF-8 nanoparticles contribute to the proton conductivity by forming hydrogen bonds with the polymer network in the membrane. The water uptake (WU) and ion exchange capacity (IEC) values are 3.28 (gig) and 1.52 meq g(-1), respectively for the same membrane. To the best our knowledge, this study shows one of the first example of a MOFcontaining membrane with truly high proton conductivities, and both values of proton conductivity and electrochemical properties are comparable to those of well-studied membrane, Nation. (C) 2015 Elsevier B.V. All rights reserved.Article Citation - WoS: 23Citation - Scopus: 23Pressure-Induced Amorphization of MOF-5: A First Principles Study(Wiley-VCH Verlag GmbH, 2018) Erkartal, Mustafa; Durandurdu, Murat; Erkartal, Mustafa; Durandurdu, MuratAmorphous metal-organic frameworks (MOFs) and the amorphization of crystalline MOFs under mechanical stimuli are attracting considerable interest in last few years. However, we still have limited knowledge on their atomic arrangement and the physical origin of crystalline-to-amorphous phase transitions under mechanical stimuli. In this study, ab initio simulations within a generalized gradient approximation are carried out to investigate the high-pressure behavior of MOF-5. Similar to the previous experimental findings, a pressure-induced amorphization is observed at 2 GPa through the simulations. The phase transformation is an irreversible first order transition and accompanied by around 68% volume collapse. Remarkably, the transition arises from local distortions and, contrary to previous suggestions, does not involve any bond breaking and formation. Additionally, a drastic band gap closure is perceived for the amorphous state. This study has gone some way towards enhancing our understanding of pressure-induced amorphization in MOFs.Article Citation - WoS: 74Citation - Scopus: 76From 2-Methylimidazole to 1,2,3-Triazole: A Topological Transformation of ZIF-8 and ZIF-67 by Post-Synthetic Modification(Royal Soc Chemistry, 2017) Erkartal, Mustafa; Erkilic, Ufuk; Tam, Benjamin; Usta, Hakan; Yazaydin, Ozgur; Hupp, Joseph T.; Sen, UnalBridging ligand replacement in zeolitic imidazolate frameworks, ZIF-8 and ZIF-67, by 1,2,3-triazole was investigated. A complete substitution of 2-methylimidazole by 1,2,3-triazole resulted in a topological transformation of the parent framework from a sodalite (SOD) network to a diamond (DIA) network.Article Citation - WoS: 7Citation - Scopus: 7Giant Negative Linear Compressibility, Isosymmetric Phase Transition, and Breathing Effect in a 3D Covalent Organic Framework(Amer Chemical Soc, 2023) Erkartal, MustafaA set of remarkable piezo-mechanical properties, including isosymmetric phase transition, negative linear compressibility (NLC), and a breathing effect in a three-dimensional covalent organic framework (NPN-3), was uncovered using density functional theory. The pressure-induced first-order phase transition observed between 0.9 and 1 GPa is isosymmetric and irreversible. NPN-3 shows giant NLC along the c-axis (K-c = 42.04 TPa-1) prior to the phase transition. The high-density NPN-3-hd obtained as a result of the phase transition shows an exciting phase transition from a closed pore to an open pore under hydrostatic tensile pressure, similar to the breathing effect. These extraordinary piezo-mechanical attributes within NPN-3 can be attributed to the diamondoid (dia) topology, which is commonly found within flexible MOFs and COFs. Additionally, the remarkable adaptability of the tetraphenyl adamantane monomer to distinct conformations under pressure can be seen in these properties. These findings underscore the potential utility of COFs as materials for piezo-mechanical sensors and serve as a source of inspiration for further exploration into the intricate mechanical behaviors of COFs.Article Citation - WoS: 7Citation - Scopus: 6Unveiling the Multifaceted Properties of a 3D Covalent-Organic Framework: Pressure-Induced Phase Transition, Negative Linear Compressibility and Auxeticity(Elsevier, 2023) Erkartal, MustafaHigh-pressure behavior and mechanical properties of a three-dimensional covalent-organic framework (NPN-1) were investigated by using different types of first principles molecular simulations. An irreversible pressureinduced first-order isosymmetric phase transition was predicted at 0.14 GPa. The subunit of NPN-1 retains its rigidity under pressure thanks to the strong covalent bonds. However, compression leads to significant tilting of the nitrophenyl groups. The mechanical properties of frameworks are highly anisotropic. Remarkably, both phases exhibit not only negative linear compressibility along the c-axis but also negative Poisson's ratio in certain directions. Detailed structural analysis revealed that the origin of the phase transition and anomalous mechanical properties of both phases are the wine-rack motif and strut-hinge mechanism. To the best of our knowledge, this study is the first report of such behavior in COFs, opening up new avenues for the exploration of COFs as materials for many promising applications.Article Citation - WoS: 28Citation - Scopus: 29A Solution-Processable Liquid-Crystalline Semiconductor for Low-Temperature Air-Stable N-Channel Field-Effect Transistors(Wiley-VCH Verlag GmbH, 2017) Ozdemir, Resul; Choi, Donghee; Ozdemir, Mehmet; Kim, Hyekyoung; Kostakoglu, Sinem Tuncel; Erkartal, Mustafa; Usta, HakanA new solution-processable and air-stable liquid-crystalline nchannel organic semiconductor (2,2'-(2,8-bis(5-(2-octyldodecyl) thiophen-2-yl) indeno[1,2-b] fluorene-6,12-diylidene) dimalononitrile, alpha,omega-2OD-TIFDMT) with donor-acceptor-donor (D-AD) pi conjugation has been designed, synthesized, and fully characterized. The new semiconductor exhibits a low LUMO energy (-4.19 eV) and a narrow optical bandgap (1.35 eV). The typical pseudo-focal-conic fan-shaped texture of a hexagonal columnar liquid-crystalline (LC) phase was observed over a wide temperature range. The spin-coated semiconductor thin films show the formation of large (approximate to 0.5-1 mu m) and highly crystalline platelike grains with edge-on molecular orientations. Low-temperature-annealed (50 degrees C) top-contact/bottom-gate OFETs have provided good electron obility values as high as 0.11 cm(2) (Vs)(-1) and high I-on/I-off ratios of 10(7) to 10(8) with excellent ambient stability. This indicates an enhancement of two orders of magnitude (100 V) when compared with the b-substituted parent semiconductor, beta-DD-TIFDMT (2,2'-(2,8-bis(3-dodecylthiophen- 2-yl) indeno[1,2-b] fluorene-6,12-diylidene) dimalononitrile). The current rational alkyl-chain engineering route offers great advantages for D-A-D pi-core coplanarity in addition to maintaining good solubility in organic solvents, and leads to favorable optoelectronic/physicochemical characteristics. These remarkable findings demonstrate that alpha,omega-2OD-TIFDMT is a promising semiconductor material for the development of n-channel OFETs on flexible plastic substrates and LC-state annealing of the columnar liquid crystals can lower the electron mobility for transistor-type charge transport.Article Citation - WoS: 44Citation - Scopus: 44Boronic Acid Moiety as Functional Defect in UiO-66 and Its Effect on Hydrogen Uptake Capacity and Selective Co2 Adsorption: a Comparative Study(Amer Chemical Soc, 2018) Erkartal, Mustafa; Sen, UnalHerein, we use linker fragmentation approach to introduce boronic acid moieties as functional defects into Zr-based metal organic frameworks (MOFs, UiO-66). Our findings show that the amount of permanently incorporated boronic acid containing ligand is directly dependent on the synthesis method. The accessible boronic acid moieties in the pore surfaces significantly improve the hydrogen uptake values, which are 3.10 and 3.44 wt % at 21 bar, 77 K for dimethylformamide (DMF)/H2O and DMF/HCI synthesis methods, respectively. Also, CO2 selectivity of the resulting MOFs over N-2 and CH4 significantly increases due to the quadrupolar interaction between active surfaces and CO2 molecules. To the best of our knowledge, both hydrogen storage and selectivity of CO2 for UiO-66 are the highest reported values in the literature to date. Furthermore, another striking result that emerged from the high-pressure hydrogen uptake isotherms is the direct correlation between the defects and hysteric adsorption behavior, which may result in the shift from rigidity to flexibility of the framework due to the uncoordinated sites.Article Citation - WoS: 16Citation - Scopus: 17Basalt Fiber Reinforced Polymers: A Recent Approach to Electromagnetic Interference (EMI) Shielding(Wiley, 2025) Fareez, Umar Naseef Mohamed; Loudiy, Aymen; Erkartal, Mustafa; Yilmaz, CagatayElectromagnetic wave (EMW) radiation pollution is getting more severe as result of the advancement of electronic technology. Researching shielding materials with superior EMI (electromagnetic interference) shielding characteristics is therefore crucial. Basalt fibers (BFs) have been an emerging candidate in the fiber-reinforced polymer (FRP) category due to their favorable mechanical and chemical properties, along with being favorites in sustainability and having low production costs. Therefore, due to the rising need for cheaper and efficient alternatives in the EMI shielding industry, the EMI shielding is covered in terms of BF composite materials and their properties in this review, starting with the EMI shielding mechanism and followed by how BF composites affect the EMI properties. This review then covers the post-treatments of BF composites and, finally, the factors of the composites that affect the EMI properties. Moreover, the EMI shielding applications in which BFRPs are used are comprehensively discussed as well. This review aspires to bridge an understanding between EMI shielding as a material property and the BF composites that are developed to aid in the EMI shielding application.Article Citation - WoS: 4Citation - Scopus: 4Mesoscale Morphologies of Nafion-Based Blend Membranes by Dissipative Particle Dynamics(MDPI, 2021) Sen, Unal; Ozdemir, Mehmet; Erkartal, Mustafa; Kaya, Alaattin Metin; Manda, Abdullah A.; Oveisi, Ali Reza; Tokumasu, TakashiPolymer electrolyte membrane (PEM) composed of polymer or polymer blend is a vital element in PEM fuel cell that allows proton transport and serves as a barrier between fuel and oxygen. Understanding the microscopic phase behavior in polymer blends is very crucial to design alternative cost-effective proton-conducting materials. In this study, the mesoscale morphologies of Nafion/poly(1-vinyl-1,2,4-triazole) (Nafion-PVTri) and Nafion/poly(vinyl phosphonic acid) (Nafion-PVPA) blend membranes were studied by dissipative particle dynamics (DPD) simulation technique. Simulation results indicate that both blend membranes can form a phase-separated microstructure due to the different hydrophobic and hydrophilic character of different polymer chains and different segments in the same polymer chain. There is a strong, attractive interaction between the phosphonic acid and sulfonic acid groups and a very strong repulsive interaction between the fluorinated and phosphonic acid groups in the Nafion-PVPA blend membrane. By increasing the PVPA content in the blend membrane, the PVPA clusters' size gradually increases and forms a continuous phase. On the other hand, repulsive interaction between fluorinated and triazole units in the Nafion-PVTri blend is not very strong compared to the Nafion-PVPA blend, which results in different phase behavior in Nafion-PVTri blend membrane. This relatively lower repulsive interaction causes Nafion-PVTri blend membrane to have non-continuous phases regardless of the composition.