2024
Mirzaalipour, A., Aghamohammadi, E., Vakili, H., Khodabakhsh, M., Unal, U., & Makki, H. (2024). Molecular Insight into the Effect of Polymer Topology on Wettability of Block Copolymers: The Case of Amphiphilic Polyurethanes.. Langmuir : the ACS journal of surfaces and colloids, 40(1), 62-71. doi:10.1021/acs.langmuir.3c01646DOI: 10.1021/acs.langmuir.3c01646
2023
Hemmasi, E., Tohidian, M., & Makki, H. (2023). Morphology and Transport Study of Acid-Base Blend Proton Exchange Membranes by Molecular Simulations: Case of Chitosan/Nafion.. The journal of physical chemistry. B, 127(49), 10624-10635. doi:10.1021/acs.jpcb.3c05332DOI: 10.1021/acs.jpcb.3c05332
Makki, H., Burke, C. A., & Troisi, A. (2023). Microstructural Model of Indacenodithiophene-<i>co</i>-benzothiadiazole Polymer: π-Crossing Interactions and Their Potential Impact on Charge Transport.. The journal of physical chemistry letters, 14(39), 8867-8873. doi:10.1021/acs.jpclett.3c02305DOI: 10.1021/acs.jpclett.3c02305
Polyelectrolyte Membranes Based on Nafion/Chitosan Blends for Direct Methanol Fuel Cell Application (Journal article)
Bagherzadeh, A., Tohidian, M., Sadafi, Y. M., Shamsabadi, A., & Makki, H. (2023). Polyelectrolyte Membranes Based on Nafion/Chitosan Blends for Direct Methanol Fuel Cell Application. JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 170(8). doi:10.1149/1945-7111/aceb94DOI: 10.1149/1945-7111/aceb94
Microstructural model of Indacenodithiophene-co-benzothiadiazole Polymer: π-crossing interactions and their potential impact on charge transport (Preprint)
DOI: 10.26434/chemrxiv-2023-bt02b
Rezayani, M., Sharif, F., & Makki, H. (2023). Role of Side-Chain Lengths on Hydronium Mobility in Sulfonated Poly(ether sulfone) Proton-Conducting Model Membranes. JOURNAL OF PHYSICAL CHEMISTRY C, 127(18), 8462-8472. doi:10.1021/acs.jpcc.3c01026DOI: 10.1021/acs.jpcc.3c01026
Mousavifard, S. M., Ghermezcheshme, H., Mirzaalipour, A., Mohseni, M., de With, G., & Makki, H. (2023). PolySMart: a general coarse-grained molecular dynamics polymerization scheme. MATERIALS HORIZONS. doi:10.1039/d3mh00088eDOI: 10.1039/d3mh00088e
Kizilkaya, D., Ghermezcheshme, H., Sabzevar, S. E., Makki, H., & Kacar, G. (2023). Modeling surface segregation of smart PU coatings at hydrophilic and hydrophobic interfaces via coarse-grained molecular dynamics and mesoscopic simulations. Progress in Organic Coatings, 174, 107279. doi:10.1016/j.porgcoat.2022.107279DOI: 10.1016/j.porgcoat.2022.107279
2022
Makki, H., & Troisi, A. (2022). Morphology of conducting polymer blends at the interface of conducting and insulating phases: insight from PEDOT:PSS atomistic simulations. JOURNAL OF MATERIALS CHEMISTRY C, 10(42), 16126-16137. doi:10.1039/d2tc03158bDOI: 10.1039/d2tc03158b
Understanding ion diffusion in anion exchange membranes; effects of morphology and mobility of pendant cationic groups (Journal article)
Rezayani, M., Sharif, F., & Makki, H. (2022). Understanding ion diffusion in anion exchange membranes; effects of morphology and mobility of pendant cationic groups. JOURNAL OF MATERIALS CHEMISTRY A, 10(35), 18295-18307. doi:10.1039/d2ta04400eDOI: 10.1039/d2ta04400e
Insight into the relationship between molecular morphology and water/ion diffusion in cation exchange membranes: Case of partially sulfonated polyether sulfone (Journal article)
Rezayani, M., Sharif, F., Netz, R. R., & Makki, H. (2022). Insight into the relationship between molecular morphology and water/ion diffusion in cation exchange membranes: Case of partially sulfonated polyether sulfone. Journal of Membrane Science, 654, 120561. doi:10.1016/j.memsci.2022.120561DOI: 10.1016/j.memsci.2022.120561
The effect of surface chemistry on anti-soiling properties of transparent perfluoroalkyl and alkyl modified silica coatings (Journal article)
Taheri, S., Motlagh, F. H., Dehestanizad, S., Yahyaei, H., Motallebzadeh, A., Zarrabi, A., . . . Makki, H. (2022). The effect of surface chemistry on anti-soiling properties of transparent perfluoroalkyl and alkyl modified silica coatings. Surfaces and Interfaces, 30, 101824. doi:10.1016/j.surfin.2022.101824DOI: 10.1016/j.surfin.2022.101824
Enhanced hemocompatibility of a PEGilated polycarbonate based segmented polyurethane (Journal article)
Vakili, H., Mohseni, M., Ghanbari, H., Yahyaei, H., Makki, H., González, A., . . . Irusta, L. (2022). Enhanced hemocompatibility of a PEGilated polycarbonate based segmented polyurethane. International Journal of Polymeric Materials and Polymeric Biomaterials, 71(7), 531-539. doi:10.1080/00914037.2020.1857760DOI: 10.1080/00914037.2020.1857760
Monte Carlo simulation of solution polymerization of butyl acrylate over a wide range of temperatures (Journal article)
Mahjub, A., & Makki, H. (2022). Monte Carlo simulation of solution polymerization of butyl acrylate over a wide range of temperatures. Computational Materials Science, 205, 111230. doi:10.1016/j.commatsci.2022.111230DOI: 10.1016/j.commatsci.2022.111230
Rashmi, R., Hasheminejad, H., Herziger, S., Mirzaalipour, A., Singh, A. K., Netz, R. R., . . . Haag, R. (2022). Supramolecular Engineering of Alkylated, Fluorinated, and Mixed Amphiphiles.. Macromolecular rapid communications, 43(8), e2100914. doi:10.1002/marc.202100914DOI: 10.1002/marc.202100914
Effect of Network Topology on the Protein Adsorption Behavior of Hydrophilic Polymeric Coatings (Journal article)
Ghermezcheshme, H., Mohseni, M., Ebrahimi, M., Makki, H., Martinelli, E., Guazzelli, E., . . . Galli, G. (2022). Effect of Network Topology on the Protein Adsorption Behavior of Hydrophilic Polymeric Coatings. ACS APPLIED POLYMER MATERIALS, 4(1), 129-140. doi:10.1021/acsapm.1c01071DOI: 10.1021/acsapm.1c01071
2021
Hydrophobicity of Self-Assembled Monolayers of Alkanes: Fluorination, Density, Roughness, and Lennard-Jones Cutoffs (Journal article)
Carlson, S., Becker, M., Bruenig, F. N., Ataka, K., Cruz, R., Yu, L., . . . Netz, R. R. (2021). Hydrophobicity of Self-Assembled Monolayers of Alkanes: Fluorination, Density, Roughness, and Lennard-Jones Cutoffs. LANGMUIR, 37(47), 13846-13858. doi:10.1021/acs.langmuir.1c02187DOI: 10.1021/acs.langmuir.1c02187
Superior anti-biofouling properties of mPEG-modified polyurethane networks via incorporation of a hydrophobic dangling chain (Journal article)
Golmohammadian Tehrani, A., Makki, H., Ghaffarian Anbaran, S. R., Vakili, H., Ghermezcheshme, H., & Zandi, N. (2021). Superior anti-biofouling properties of mPEG-modified polyurethane networks via incorporation of a hydrophobic dangling chain. Progress in Organic Coatings, 158, 106358. doi:10.1016/j.porgcoat.2021.106358DOI: 10.1016/j.porgcoat.2021.106358
Synthesis of segmented polyurethanes containing different oligo segments: Experimental and computational approach (Journal article)
Vakili, H., Mohseni, M., Makki, H., Yahyaei, H., Ghanbari, H., González, A., & Irusta, L. (2021). Synthesis of segmented polyurethanes containing different oligo segments: Experimental and computational approach. Progress in Organic Coatings, 150, 105965. doi:10.1016/j.porgcoat.2020.105965DOI: 10.1016/j.porgcoat.2020.105965
2020
Hydrophilic dangling chain interfacial segregation in polyurethane networks at aqueous interfaces and its underlying mechanisms: molecular dynamics simulations (Journal article)
Ghermezcheshme, H., Makki, H., Mohseni, M., & Ebrahimi, M. (2020). Hydrophilic dangling chain interfacial segregation in polyurethane networks at aqueous interfaces and its underlying mechanisms: molecular dynamics simulations. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22(45), 26351-26363. doi:10.1039/d0cp04244gDOI: 10.1039/d0cp04244g
Microphase Arrangement of Smart Superhydrophilic Segmented Polyurethanes at Their Interface with Water (Journal article)
Vakili, H., Mohseni, M., Makki, H., Yahyaei, H., Ghanbari, H., Gonzalez, A., & Irusta, L. (2020). Microphase Arrangement of Smart Superhydrophilic Segmented Polyurethanes at Their Interface with Water. LANGMUIR, 36(44), 13201-13209. doi:10.1021/acs.langmuir.0c01898DOI: 10.1021/acs.langmuir.0c01898
Self-assembly of a patterned hydrophobic-hydrophilic surface by soft segment microphase separation in a segmented polyurethane: Combined experimental study and molecular dynamics simulation (Journal article)
Vakili, H., Mohseni, M., Makki, H., Yahyaei, H., Ghanbari, H., González, A., & Irusta, L. (2020). Self-assembly of a patterned hydrophobic-hydrophilic surface by soft segment microphase separation in a segmented polyurethane: Combined experimental study and molecular dynamics simulation. Polymer, 195, 122424. doi:10.1016/j.polymer.2020.122424DOI: 10.1016/j.polymer.2020.122424
2019
MARTINI-based simulation method for step-growth polymerization and its analysis by size exclusion characterization: a case study of cross-linked polyurethane. (Journal article)
Ghermezcheshme, H., Makki, H., Mohseni, M., Ebrahimi, M., & de With, G. (2019). MARTINI-based simulation method for step-growth polymerization and its analysis by size exclusion characterization: a case study of cross-linked polyurethane.. Physical chemistry chemical physics : PCCP, 21(38), 21603-21614. doi:10.1039/c9cp03407bDOI: 10.1039/c9cp03407b
Superhydrophobic antiicing and ice-release polymer coatings (Chapter)
Makki, H., Yahyaei, H., & Mohseni, M. (2019). Superhydrophobic antiicing and ice-release polymer coatings. In Superhydrophobic Polymer Coatings (pp. 205-222). Elsevier. doi:10.1016/b978-0-12-816671-0.00010-2DOI: 10.1016/b978-0-12-816671-0.00010-2
Superhydrophobic coatings for medical applications (Chapter)
Yahyaei, H., Makki, H., & Mohseni, M. (2019). Superhydrophobic coatings for medical applications. In Superhydrophobic Polymer Coatings (pp. 321-338). Elsevier. doi:10.1016/b978-0-12-816671-0.00015-1DOI: 10.1016/b978-0-12-816671-0.00015-1
2017
Heterogeneities in Polymer Structural and Dynamic Properties in Graphene and Graphene Oxide Nanocomposites: Molecular Dynamics Simulations (Journal article)
Azimi, M., Mirjavadi, S. S., Hamouda, A. M. S., & Makki, H. (2017). Heterogeneities in Polymer Structural and Dynamic Properties in Graphene and Graphene Oxide Nanocomposites: Molecular Dynamics Simulations. MACROMOLECULAR THEORY AND SIMULATIONS, 26(2). doi:10.1002/mats.201600086DOI: 10.1002/mats.201600086
2016
Degradation of a polyester-urethane coating: Physical properties (Journal article)
Makki, H., Adema, K. N. S., Peters, E. A. J. F., Laven, J., van der Ven, L. G. J., van Benthem, R. A. T. M., & de With, G. (2016). Degradation of a polyester-urethane coating: Physical properties. JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS, 54(6), 659-671. doi:10.1002/polb.23958DOI: 10.1002/polb.23958
Multi-scale simulation of degradation of polymer coatings: Thermo-mechanical simulations (Journal article)
Makki, H., Adema, K. N. S., Peters, E. A. J. F., Laven, J., van der Ven, L. G. J., van Benthem, R. A. T. M., & de With, G. (2016). Multi-scale simulation of degradation of polymer coatings: Thermo-mechanical simulations. POLYMER DEGRADATION AND STABILITY, 123, 1-12. doi:10.1016/j.polymdegradstab.2015.11.005DOI: 10.1016/j.polymdegradstab.2015.11.005
The influence of the exposure conditions on the chemical and physical changes of polyester-urethane coatings during photodegradation (Journal article)
Adema, K. N. S., Makki, H., Peters, E. A. J. F., Laven, J., van der Ven, L. G. J., van Benthem, R. A. T. M., & de With, G. (2016). The influence of the exposure conditions on the chemical and physical changes of polyester-urethane coatings during photodegradation. POLYMER DEGRADATION AND STABILITY, 123, 13-25. doi:10.1016/j.polymdegradstab.2015.09.026DOI: 10.1016/j.polymdegradstab.2015.09.026
The influence of the exposure conditions on the simulated photodegradation process of polyester-urethane coatings (Journal article)
Adema, K. N. S., Makki, H., Peters, E. A. J. F., Laven, J., van der Ven, L. G. J., van Benthem, R. A. T. M., & de With, G. (2016). The influence of the exposure conditions on the simulated photodegradation process of polyester-urethane coatings. POLYMER DEGRADATION AND STABILITY, 123, 121-130. doi:10.1016/j.polymdegradstab.2015.11.014DOI: 10.1016/j.polymdegradstab.2015.11.014
2015
Weathering of a polyester-urethane clearcoat: Lateral inhomogeneities (Journal article)
Makki, H., Adema, K. N. S., Hendrix, M. M. R. M., Peters, E. A. J. F., Laven, J., van der Ven, L. G. J., . . . de With, G. (2015). Weathering of a polyester-urethane clearcoat: Lateral inhomogeneities. POLYMER DEGRADATION AND STABILITY, 122, 180-186. doi:10.1016/j.polymdegradstab.2015.10.022DOI: 10.1016/j.polymdegradstab.2015.10.022
Quantitative spectroscopic analysis of weathering of polyester-urethane coatings (Journal article)
Makki, H., Adema, K. N. S., Peters, E. A. J. F., Laven, J., van der Ven, L. G. J., van Benthem, R. A. T. M., & de With, G. (2015). Quantitative spectroscopic analysis of weathering of polyester-urethane coatings. POLYMER DEGRADATION AND STABILITY, 121, 280-291. doi:10.1016/j.polymdegradstab.2015.09.019DOI: 10.1016/j.polymdegradstab.2015.09.019
Kinetic Monte Carlo simulation of the photodegradation process of polyester-urethane coatings (Journal article)
Adema, K. N. S., Makki, H., Peters, E. A. J. F., Laven, J., van der Ven, L. G. J., van Benthem, R. A. T. M., & de With, G. (2015). Kinetic Monte Carlo simulation of the photodegradation process of polyester-urethane coatings. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17(30), 19962-19976. doi:10.1039/c5cp01581bDOI: 10.1039/c5cp01581b
2014
A simulation approach to study photo-degradation processes of polymeric coatings (Journal article)
Makki, H., Adema, K. N. S., Peters, E. A. J. F., Laven, J., van der Ven, L. G. J., van Benthem, R. A. T. M., & de With, G. (2014). A simulation approach to study photo-degradation processes of polymeric coatings. POLYMER DEGRADATION AND STABILITY, 105, 68-79. doi:10.1016/j.polymdegradstab.2014.03.040DOI: 10.1016/j.polymdegradstab.2014.03.040
Depth-resolved infrared microscopy and UV-VIS spectroscopy analysis of an artificially degraded polyester-urethane clearcoat (Journal article)
Adema, K. N. S., Makki, H., Peters, E. A. J. F., Laven, J., van der Ven, L. G. J., van Benthem, R. A. T. M., & de With, G. (2014). Depth-resolved infrared microscopy and UV-VIS spectroscopy analysis of an artificially degraded polyester-urethane clearcoat. POLYMER DEGRADATION AND STABILITY, 110, 422-434. doi:10.1016/j.polymdegradstab.2014.10.004DOI: 10.1016/j.polymdegradstab.2014.10.004