Research outputs
2025
Dynamic bonds transform ion transport mechanisms in polymeric covalent adaptable networks.
Rezayani, M., Sharif, F., & Makki, H. (2025). Dynamic bonds transform ion transport mechanisms in polymeric covalent adaptable networks.. Materials horizons. doi:10.1039/d5mh00433k
Mapping the structure-function landscape of semiconducting polymers.
Makki, H., Burke, C., Nielsen, C. B., & Troisi, A. (2025). Mapping the structure-function landscape of semiconducting polymers.. Materials horizons, 12(15), 5723-5732. doi:10.1039/d5mh00485c
Effective Cross-Link Density as a Metric for Structure-Property Relationships in Complex Polymer Networks: Insights from Acrylic Melamine Systems.
Gooranorimi, A., Mousavifard, S. M., Mohseni, M., Yahyaei, H., & Makki, H. (2025). Effective Cross-Link Density as a Metric for Structure-Property Relationships in Complex Polymer Networks: Insights from Acrylic Melamine Systems.. ACS applied polymer materials, 7(14), 9034-9044. doi:10.1021/acsapm.5c01155
Fluorinated Hexosome Carriers for Enhanced Solubility of Drugs.
Guitton-Spassky, T., Schade, B., Zoister, C., Veronese, E., Rosati, M., Baldelli Bombelli, F., . . . Haag, R. (2025). Fluorinated Hexosome Carriers for Enhanced Solubility of Drugs.. JACS Au, 5(5), 2223-2236. doi:10.1021/jacsau.5c00198
Mapping the Structure-Function Landscape of Semiconducting Polymers
Flexibility and Dynamicity Enhances and Controls Supramolecular Self‐Assembly of Zinc(II) Metallogels
Stühler, M. R., Makki, H., Silbernagl, D., Dimde, M., Ludwig, K., Tegner, B. E., . . . Plajer, A. J. (2025). Flexibility and Dynamicity Enhances and Controls Supramolecular Self‐Assembly of Zinc(II) Metallogels. Advanced Functional Materials. doi:10.1002/adfm.202507793
Synthesis of Dendritic Oligo-Glycerol Amphiphiles with Different Hydrophobic Segments to Improve their Performance as Nanocarriers.
Kumari, P., Zoister, C., Hanheiser, N., Makki, H., Schade, B., Dimde, M., . . . Singh, A. K. (2025). Synthesis of Dendritic Oligo-Glycerol Amphiphiles with Different Hydrophobic Segments to Improve their Performance as Nanocarriers.. ChemistryOpen, 14(8), e202400448. doi:10.1002/open.202400448
2024
Structural properties of conductive polymer blends interfaced with water: computational insights from PEDOT:PSS
Guruge, A. G., Makki, H., & Troisi, A. (2024). Structural properties of conductive polymer blends interfaced with water: computational insights from PEDOT:PSS. Journal of Materials Chemistry C. doi:10.1039/d4tc03066d
Effective Cross-link Density: A Robust Metric for Structure-Property Relationship in Complex Polymer Networks
Exploring the Kinetics of Solution Polymerization of Butyl Acrylate for Tailoring a Microstructure at Elevated Temperatures
Hamidi, A., Mahjub, A., & Makki, H. (2024). Exploring the Kinetics of Solution Polymerization of Butyl Acrylate for Tailoring a Microstructure at Elevated Temperatures. Industrial & Engineering Chemistry Research, 63(32), 14064-14073. doi:10.1021/acs.iecr.4c01533
Proton exchange membranes based on sulfonated polybutylene fumarate: Preparation and characterization
Shamsabadi, A., Tohidian, M., Hemmasi, E., & Makki, H. (2024). Proton exchange membranes based on sulfonated polybutylene fumarate: Preparation and characterization. Journal of Polymer Science, 62(15), 3320-3333. doi:10.1002/pol.20240182
Using Molecular Structure to Tune Intrachain and Interchain Charge Transport in Indacenodithiophene-Based Copolymers.
LeCroy, G., Ghosh, R., Sommerville, P., Burke, C., Makki, H., Rozylowicz, K., . . . Salleo, A. (2024). Using Molecular Structure to Tune Intrachain and Interchain Charge Transport in Indacenodithiophene-Based Copolymers.. Journal of the American Chemical Society, 146(31), 21778-21790. doi:10.1021/jacs.4c06006
From Chemical Drawing to Electronic Properties of Semiconducting Polymers in Bulk: A Tool for Chemical Discovery.
Burke, C., Makki, H., & Troisi, A. (2024). From Chemical Drawing to Electronic Properties of Semiconducting Polymers in Bulk: A Tool for Chemical Discovery.. Journal of chemical theory and computation, 20(9), 4019-4028. doi:10.1021/acs.jctc.3c01417
Molecular Insight into the Effect of Polymer Topology on Wettability of Block Copolymers: The Case of Amphiphilic Polyurethanes.
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.3c01646
From Chemical Drawing to Electronic Properties of Semiconducting Polymers in Bulk: A Tool for Chemical Discovery
2023
Morphology and Transport Study of Acid-Base Blend Proton Exchange Membranes by Molecular Simulations: Case of Chitosan/Nafion.
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.3c05332
Microstructural Model of Indacenodithiophene-<i>co</i>-benzothiadiazole Polymer: π-Crossing Interactions and Their Potential Impact on Charge Transport.
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.3c02305
Polyelectrolyte Membranes Based on Nafion/Chitosan Blends for Direct Methanol Fuel Cell Application
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/aceb94
Microstructural model of Indacenodithiophene-co-benzothiadiazole Polymer: π-crossing interactions and their potential impact on charge transport
Role of Side-Chain Lengths on Hydronium Mobility in Sulfonated Poly(ether sulfone) Proton-Conducting Model Membranes
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.3c01026
PolySMart: a general coarse-grained molecular dynamics polymerization scheme
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/d3mh00088e
Modeling surface segregation of smart PU coatings at hydrophilic and hydrophobic interfaces via coarse-grained molecular dynamics and mesoscopic simulations
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.2022.107279
2022
Morphology of conducting polymer blends at the interface of conducting and insulating phases: insight from PEDOT:PSS atomistic simulations
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/d2tc03158b
Understanding ion diffusion in anion exchange membranes; effects of morphology and mobility of pendant cationic groups
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/d2ta04400e
Insight into the relationship between molecular morphology and water/ion diffusion in cation exchange membranes: Case of partially sulfonated polyether sulfone
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.2022.120561
The effect of surface chemistry on anti-soiling properties of transparent perfluoroalkyl and alkyl modified silica coatings
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.2022.101824
Enhanced hemocompatibility of a PEGilated polycarbonate based segmented polyurethane
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:10.1080/00914037.2020.1857760
Monte Carlo simulation of solution polymerization of butyl acrylate over a wide range of temperatures
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.2022.111230
Supramolecular Engineering of Alkylated, Fluorinated, and Mixed Amphiphiles.
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.202100914
Effect of Network Topology on the Protein Adsorption Behavior of Hydrophilic Polymeric Coatings
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.1c01071
2021
Hydrophobicity of Self-Assembled Monolayers of Alkanes: Fluorination, Density, Roughness, and Lennard-Jones Cutoffs
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.1c02187
Superior anti-biofouling properties of mPEG-modified polyurethane networks via incorporation of a hydrophobic dangling chain
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.2021.106358
Synthesis of segmented polyurethanes containing different oligo segments: Experimental and computational approach
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.2020.105965
2020
Hydrophilic dangling chain interfacial segregation in polyurethane networks at aqueous interfaces and its underlying mechanisms: molecular dynamics simulations
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/d0cp04244g
Microphase Arrangement of Smart Superhydrophilic Segmented Polyurethanes at Their Interface with Water
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.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
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.2020.122424
A Molecular Dynamics Approach to Study Polymer/Nano-Filler Interactions
Makki, H., Sharif, F., & Ebrahim, M. (2020). A Molecular Dynamics Approach to Study Polymer/Nano-Filler Interactions. In Eco-friendly and Smart Polymer Systems (pp. 212-215). Springer International Publishing. doi:10.1007/978-3-030-45085-4_51
2019
MARTINI-based simulation method for step-growth polymerization and its analysis by size exclusion characterization: a case study of cross-linked polyurethane.
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/c9cp03407b
Chapter 14 Superhydrophobic coatings for medical applications
Yahyaei, H., Makki, H., & Mohseni, M. (2019). Chapter 14 Superhydrophobic coatings for medical applications. In Superhydrophobic Polymer Coatings (pp. 321-338). Elsevier. doi:10.1016/b978-0-12-816671-0.00015-1
Chapter 9 Superhydrophobic antiicing and ice-release polymer coatings
Makki, H., Yahyaei, H., & Mohseni, M. (2019). Chapter 9 Superhydrophobic antiicing and ice-release polymer coatings. In Superhydrophobic Polymer Coatings (pp. 205-222). Elsevier. doi:10.1016/b978-0-12-816671-0.00010-2
Superhydrophobic antiicing and ice-release polymer coatings
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/b978-0-12-816671-0.00010-2
Superhydrophobic coatings for medical applications
Yahyaei, H., Makki, H., & Mohseni, M. (2019). Superhydrophobic coatings for medical applications. In Superhydrophobic Polymer Coatings (pp. 321-338). Elsevier. doi:10.1016/b978-0-12-816671-0.00015-1
2017
Heterogeneities in Polymer Structural and Dynamic Properties in Graphene and Graphene Oxide Nanocomposites: Molecular Dynamics Simulations
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.201600086
2016
Degradation of a polyester-urethane coating: Physical properties
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.23958
Multi-scale simulation of degradation of polymer coatings: Thermo-mechanical simulations
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.2015.11.005
The influence of the exposure conditions on the chemical and physical changes of polyester-urethane coatings during photodegradation
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.2015.09.026
The influence of the exposure conditions on the simulated photodegradation process of polyester-urethane coatings
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.2015.11.014
2015
Weathering of a polyester-urethane clearcoat: Lateral inhomogeneities
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.2015.10.022
Quantitative spectroscopic analysis of weathering of polyester-urethane coatings
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.2015.09.019
Kinetic Monte Carlo simulation of the photodegradation process of polyester-urethane coatings
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/c5cp01581b
2014
A simulation approach to study photo-degradation processes of polymeric coatings
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.2014.03.040
Depth-resolved infrared microscopy and UV-VIS spectroscopy analysis of an artificially degraded polyester-urethane clearcoat
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.2014.10.004