The University of Queensland

Solvent‐derived fluorinated secondary interphase for reversible Zn‐graphite dual‐ion batteries

Tao, Shiwei, Demir, Baris, Baktash, Ardeshir, Zhu, Yutong, Xia, Qingbing, Jiao, Yalong, Zhao, Yuying, Lin, Tongen, Li, Ming, Lyu, Miaoqiang, Gentle, Ian, Wang, Lianzhou and Knibbe, Ruth (2023). Solvent‐derived fluorinated secondary interphase for reversible Zn‐graphite dual‐ion batteries. Angewandte Chemie International Edition, 62 (39) e202307208, 1-10. doi: 10.1002/anie.202307208

Solvent‐derived fluorinated secondary interphase for reversible Zn‐graphite dual‐ion batteries

Tao, Shiwei, Demir, Baris, Baktash, Ardeshir, Zhu, Yutong, Xia, Qingbing, Jiao, Yalong, Zhao, Yuying, Lin, Tongen, Li, Ming, Lyu, Miaoqiang, Gentle, Ian, Wang, Lianzhou and Knibbe, Ruth (2023). Solvent‐derived fluorinated secondary interphase for reversible Zn‐graphite dual‐ion batteries. Angewandte Chemie, 135 (39). doi: 10.1002/ange.202307208

Rational design of solid polymer electrolyte based on ionic liquid monomer for supercapacitor applications via molecular dynamics study

Demir, Baris, Chan, Kit-Ying and Livi, Sébastien (2022). Rational design of solid polymer electrolyte based on ionic liquid monomer for supercapacitor applications via molecular dynamics study. Polymers, 14 (23) 5106, 1-15. doi: 10.3390/polym14235106

From the design of novel tri- and tetra-epoxidized ionic liquid monomers to the end-of-life of multifunctional degradable epoxy thermosets

Perli, Gabriel, Wylie, Luke, Demir, Baris, Gerard, Jean-François, Pádua, Agílio A. H., Gomes, Margarida Costa, Duchet-Rumeau, Jannick, Baudoux, Jérôme and Livi, Sébastien (2022). From the design of novel tri- and tetra-epoxidized ionic liquid monomers to the end-of-life of multifunctional degradable epoxy thermosets. ACS Sustainable Chemistry and Engineering, 10 (47), 15450-15466. doi: 10.1021/acssuschemeng.2c04499

From the design of multifunctional degradable epoxy thermosets to their end of life

Perli, Gabriel, Demir, Baris, Pruvost, Sébastien, Duchet-Rumeau, Jannick, Baudoux, Jérôme and Livi, Sébastien (2022). From the design of multifunctional degradable epoxy thermosets to their end of life. ACS Sustainable Chemistry and Engineering, 10 (33), 11004-11015. doi: 10.1021/acssuschemeng.2c03326

New framework for computing a general local self-diffusion coefficient using statistical mechanics

Hunter, Michelle A., Demir, Baris, Petersen, Charlotte F. and Searles, Debra J. (2022). New framework for computing a general local self-diffusion coefficient using statistical mechanics. Journal of Chemical Theory and Computation, 18 (6), 3357-3363. doi: 10.1021/acs.jctc.2c00207

A computational procedure for atomistic modelling of polyphosphazenes towards better capturing molecular-level structuring and thermo-mechanical properties

Chen, Kay and Demir, Baris (2022). A computational procedure for atomistic modelling of polyphosphazenes towards better capturing molecular-level structuring and thermo-mechanical properties. Polymers, 14 (7) 1451, 1451. doi: 10.3390/polym14071451

Selectively tuning ionic thermopower in all-solid-state flexible polymer composites for thermal sensing

Chi, Cheng, An, Meng, Qi, Xin, Li, Yang, Zhang, Ruihan, Liu, Gongze, Lin, Chongjia, Huang, He, Dang, Hao, Demir, Baris, Wang, Yan, Ma, Weigang, Huang, Baoling and Zhang, Xing (2022). Selectively tuning ionic thermopower in all-solid-state flexible polymer composites for thermal sensing. Nature Communications, 13 (1) 221, 221. doi: 10.1038/s41467-021-27885-2

Thermoresponsive supramolecular assemblies from dendronized amphiphiles to form fluorescent spheres with tunable chirality

Liu, Yanjun, Cao, Yuexin, Zhang, Xiacong, Lin, Yaodong, Li, Wen, Demir, Baris, Searles, Debra J., Whittaker, Andrew K. and Zhang, Afang (2021). Thermoresponsive supramolecular assemblies from dendronized amphiphiles to form fluorescent spheres with tunable chirality. ACS Nano, 15 (12) acsnano.1c07764, 20067-20078. doi: 10.1021/acsnano.1c07764

High-performance supercapacitor materials based on hierarchically porous carbons derived from Artocarpus heterophyllus seed

Maji, Subrata, Chaudhary, Rashma, Shrestha, Rekha Goswami, Shrestha, Ram Lal, Demir, Baris, Searles, Debra J., Hill, Jonathan P., Yamauchi, Yusuke, Ariga, Katsuhiko and Shrestha, Lok Kumar (2021). High-performance supercapacitor materials based on hierarchically porous carbons derived from Artocarpus heterophyllus seed. ACS Applied Energy Materials, 4 (11) acsaem.1c02051, 12257-12266. doi: 10.1021/acsaem.1c02051

Effect of defects and defect distribution on Li-diffusion and elastic properties of anti-perovskite Li3OCl solid electrolyte

Baktash, Ardeshir, Demir, Baris, Yuan, Qinghong and Searles, Debra J. (2021). Effect of defects and defect distribution on Li-diffusion and elastic properties of anti-perovskite Li3OCl solid electrolyte. Energy Storage Materials, 41, 614-622. doi: 10.1016/j.ensm.2021.06.039

Atomistic modeling of dual-cured thermosets based on glycidyl methacrylate and hardeners with various architecture and functionality

Demir, Baris (2021). Atomistic modeling of dual-cured thermosets based on glycidyl methacrylate and hardeners with various architecture and functionality. ACS Applied Polymer Materials, 3 (10) acsapm.1c00794, 5030-5038. doi: 10.1021/acsapm.1c00794

Sc, Ge Co-doping NASICON boosts solid state sodium ion batteries performance

Ran, Lingbing, Baktash, Ardeshir, Li, Ming, Yin, Yu, Demir, Baris, Lin, Tongen, Li, Meng, Rana, Masud, Gentle, Ian, Wang, Lianzhou, Searles, Debra J. and Knibbe, Ruth (2021). Sc, Ge Co-doping NASICON boosts solid state sodium ion batteries performance. Energy Storage Materials, 40, 282-291. doi: 10.1016/j.ensm.2021.05.017

Modelling amorphous nanoporous polymers doped with an ionic liquid via an adaptable computational procedure

Demir, Baris and Dumée, Ludovic F. (2021). Modelling amorphous nanoporous polymers doped with an ionic liquid via an adaptable computational procedure. Industrial and Engineering Chemistry Research, 60 (32) acs.iecr.1c01972, 11893-11904. doi: 10.1021/acs.iecr.1c01972

An automated in-situ polymerisation procedure for multi-functional cyanate ester resins via ring formation

Demir, Baris and Hamerton, Ian (2021). An automated in-situ polymerisation procedure for multi-functional cyanate ester resins via ring formation. Polymer, 228 123938, 1-9. doi: 10.1016/j.polymer.2021.123938

Molecular-level investigation of cycloaliphatic epoxidised ionic liquids as a new generation of monomers for versatile poly(ionic liquids)

Demir, Baris, Perli, Gabriel, Chan, Kit-Ying, Duchet-Rumeau, Jannick and Livi, Sébastien (2021). Molecular-level investigation of cycloaliphatic epoxidised ionic liquids as a new generation of monomers for versatile poly(ionic liquids). Polymers, 13 (9) 1512, 1-15. doi: 10.3390/polym13091512

A bespoke computational procedure to incorporate CO2 as a renewable feedstock into polycarbonates

Demir, Baris (2021). A bespoke computational procedure to incorporate CO2 as a renewable feedstock into polycarbonates. ACS Applied Polymer Materials, 3 (5), 2722-2731. doi: 10.1021/acsapm.1c00265

Dendronized polydiacetylenes via photo-polymerization of supramolecular assemblies showing thermally tunable chirality

Liu, Yanjun, Lin, Yaodong, Cao, Yuexin, Zhi, Aomiao, Chen, Jiabei, Li, Wen, Demir, Baris, Searles, Debra J., Whittaker, Andrew K. and Zhang, Afang (2021). Dendronized polydiacetylenes via photo-polymerization of supramolecular assemblies showing thermally tunable chirality. Chemical Communications, 57 (95), 12780-12783. doi: 10.1039/d1cc05358b

Tailoring mechanical and electrical properties of graphene oxide film for structural dielectric capacitors

Chan, Kit-Ying, Baktash, Ardeshir, Demir, Baris, Mayes, Edwin L.H., Yang, Dan, Pham, Duy Quang, Lin, Keng-Te, Mouritz, Adrian P., Ang, Andrew S.M., Fox, Bronwyn, Zhu, Bo, Lin, Han, Jia, Baohua and Lau, Kin-Tak (2021). Tailoring mechanical and electrical properties of graphene oxide film for structural dielectric capacitors. Journal of Power Sources, 482 229020, 229020. doi: 10.1016/j.jpowsour.2020.229020

Accelerating solar desalination in brine through ion activated hierarchically porous polyion complex hydrogels

Zhu, Fengbo, Wang, Liqian, Demir, Baris, An, Meng, Wu, Zi Liang, Yin, Jun, Xiao, Rui, Zheng, Qiang and Qian, Jin (2020). Accelerating solar desalination in brine through ion activated hierarchically porous polyion complex hydrogels. Materials Horizons, 7 (12), 3187-3195. doi: 10.1039/d0mh01259a

Graphene oxide thin film structural dielectric capacitors for aviation static electricity harvesting and storage

Chan, Kit-Ying, Pham, Duy Quang, Demir, Baris, Yang, Dan, Mayes, Edwin L.H., Mouritz, Adrian P., Ang, Andrew S.M., Fox, Bronwyn, Lin, Han, Jia, Baohua and Lau, Kin-Tak (2020). Graphene oxide thin film structural dielectric capacitors for aviation static electricity harvesting and storage. Composites Part B: Engineering, 201 108375, 108375. doi: 10.1016/j.compositesb.2020.108375

Investigation of the ionic liquid graphene electric double layer in supercapacitors using constant potential simulations

Demir, Baris and Searles, Debra J. (2020). Investigation of the ionic liquid graphene electric double layer in supercapacitors using constant potential simulations. Nanomaterials, 10 (11) 2181, 2181-27. doi: 10.3390/nano10112181

Structural electrolytes based on epoxy resins and ionic liquids: a molecular-level investigation

Demir, Baris, Chan, Kit-ying and Searles, Debra J. (2020). Structural electrolytes based on epoxy resins and ionic liquids: a molecular-level investigation. Macromolecules, 53 (18) acs.macromol.0c00824, 7635-7649. doi: 10.1021/acs.macromol.0c00824

Using molecular entanglement as a strategy to enhance carbon fiber-epoxy composite interfaces

Eyckens, Daniel J., Demir, Baris, Randall, James D., Gengenbach, Thomas R., Servinis, Linden, Walsh, Tiffany R. and Henderson, Luke C. (2020). Using molecular entanglement as a strategy to enhance carbon fiber-epoxy composite interfaces. Composites Science and Technology, 196 108225, 108225. doi: 10.1016/j.compscitech.2020.108225

New epoxy thermosets derived from a bisimidazolium ionic liquid monomer: an experimental and modeling investigation

Radchenko, Alexei V., Chabane, Houssém, Demir, Baris, Searles, Debra J., Duchet-Rumeau, Jannick, Gérard, Jean-François, Baudoux, Jérôme and Livi, Sébastien (2020). New epoxy thermosets derived from a bisimidazolium ionic liquid monomer: an experimental and modeling investigation. ACS Sustainable Chemistry and Engineering, 8 (32) acssuschemeng.0c03832, 12208-12221. doi: 10.1021/acssuschemeng.0c03832

Mass difference and polarization lead to low thermal conductivity of graphene-like carbon nitride (C3N)

An, Meng, Li, Linfeng, Hu, Shiqian, Ding, Zhidong, Yu, Xiaoxiang, Demir, Baris, Yang, Nuo, Ma, Weigang and Zhang, Xing (2020). Mass difference and polarization lead to low thermal conductivity of graphene-like carbon nitride (C3N). Carbon, 162, 202-208. doi: 10.1016/j.carbon.2020.02.055

In silico study of bio-based epoxy precursors for sustainable and renewable thermosets

Demir, Baris (2020). In silico study of bio-based epoxy precursors for sustainable and renewable thermosets. Polymer, 191 122253, 1-12. doi: 10.1016/j.polymer.2020.122253

Low-fouling fluoropolymers for bioconjugation and in vivo tracking

Fu, Changkui, Demir, Baris, Alcantara, Sheilajen, Kumar, Vinod, Han, Felicity, Kelly, Hannah, Tan, Xiao, Yu, Ye, Xu, Weizhi, Zhao, Jiacheng, Zhang, Cheng, Peng, Hui, Boyer, Cyrille, Woodruff, Trent, Kent, Stephen, Searles, Debra and Whittaker, Andrew (2020). Low-fouling fluoropolymers for bioconjugation and in vivo tracking. Angewandte Chemie International Edition, 59 (12), 4729-4735. doi: 10.1002/anie.201914119

Low‐fouling fluoropolymers for bioconjugation and in vivo tracking

Fu, Changkui, Demir, Baris, Alcantara, Sheilajen, Kumar, Vinod, Han, Felicity, Kelly, Hannah G., Tan, Xiao, Yu, Ye, Xu, Weizhi, Zhao, Jiacheng, Zhang, Cheng, Peng, Hui, Boyer, Cyrille, Woodruff, Trent M., Kent, Stephen J., Searles, Debra J. and Whittaker, Andrew K. (2020). Low‐fouling fluoropolymers for bioconjugation and in vivo tracking. Angewandte Chemie, 132 (12), 4759-4765. doi: 10.1002/ange.201914119

Boosting the electrical and mechanical properties of structural dielectric capacitor composites via gold nanoparticle doping

Chan, Kit-Ying, Yang, Dan, Demir, Baris, Mouritz, Adrian P., Lin, Han, Jia, Baohua and Lau, Kin-Tak (2019). Boosting the electrical and mechanical properties of structural dielectric capacitor composites via gold nanoparticle doping. Composites Part B: Engineering, 178 107480, 107480. doi: 10.1016/j.compositesb.2019.107480

A versatile computational procedure for chain-growth polymerization using molecular dynamics simulations

Demir, Baris and Walsh, Tiffany R. (2019). A versatile computational procedure for chain-growth polymerization using molecular dynamics simulations. ACS Applied Polymer Materials, 1 (11) acsapm.9b00709, 3027-3038. doi: 10.1021/acsapm.9b00709

Designing carbon fiber composite interfaces using a ‘graft-to’ approach: surface grafting density versus interphase penetration

Randall, James D., Eyckens, Daniel J., Servinis, Linden, Stojcevski, Filip, O'Dell, Luke A., Gengenbach, Thomas R., Demir, Baris, Walsh, Tiffany R. and Henderson, Luke C. (2019). Designing carbon fiber composite interfaces using a ‘graft-to’ approach: surface grafting density versus interphase penetration. Carbon, 146, 88-96. doi: 10.1016/j.carbon.2019.01.064

Epoxy-gold nanoparticle nanocomposites with enhanced thermo-mechanical properties: an integrated modelling and experimental study

Demir, Baris, Chan, Kit-Ying, Yang, Dan, Mouritz, Adrian, Lin, Han, Jia, Baohua, Lau, Kin-Tak and Walsh, Tiffany R. (2019). Epoxy-gold nanoparticle nanocomposites with enhanced thermo-mechanical properties: an integrated modelling and experimental study. Composites Science and Technology, 174, 106-116. doi: 10.1016/j.compscitech.2019.02.020

Predictions of thermo-mechanical properties of cross-linked polyacrylamide hydrogels using molecular simulations

An, Meng, Demir, Baris, Wan, Xiao, Meng, Han, Yang, Nuo and Walsh, Tiffany R. (2019). Predictions of thermo-mechanical properties of cross-linked polyacrylamide hydrogels using molecular simulations. Advanced Theory and Simulations, 2 (3) 1800153, 1800153. doi: 10.1002/adts.201800153

Simultaneously increasing the hydrophobicity and interfacial adhesion of carbon fibres: a simple pathway to install passive functionality into composites

Arnold, Chantelle L., Eyckens, Daniel J., Servinis, Linden, Nave, Mark D., Yin, Huaying, Marceau, Ross K. W., Pinson, Jean, Demir, Baris, Walsh, Tiffany R. and Henderson, Luke C. (2019). Simultaneously increasing the hydrophobicity and interfacial adhesion of carbon fibres: a simple pathway to install passive functionality into composites. Journal of Materials Chemistry A, 7 (22), 13483-13494. doi: 10.1039/c9ta02436k

An efficient high-throughput grafting procedure for enhancing carbon fiber-to-matrix interactions in composites

Eyckens, Daniel J., Stojcevski, Filip, Hendlmeier, Andreas, Arnold, Chantelle L., Randall, James D., Perus, Magenta D., Servinis, Linden, Gengenbach, Thomas R., Demir, Baris, Walsh, Tiffany R. and Henderson, Luke C. (2018). An efficient high-throughput grafting procedure for enhancing carbon fiber-to-matrix interactions in composites. Chemical Engineering Journal, 353, 373-380. doi: 10.1016/j.cej.2018.07.133

Atomistic modeling of the formation of a thermoset/thermoplastic interphase during co-curing

Laurien, Magdalena, Demir, Baris, Büttemeyer, Holger, Herrmann, Axel S., Walsh, Tiffany R. and Ciacchi, Lucio Colombi (2018). Atomistic modeling of the formation of a thermoset/thermoplastic interphase during co-curing. Macromolecules, 51 (11), 3983-3993. doi: 10.1021/acs.macromol.8b00736

A predictive model of interfacial interactions between functionalised carbon fibre surfaces cross-linked with epoxy resin

Demir, Baris, Beggs, Kathleen M., Fox, Bronwyn L., Servinis, Linden, Henderson, Luke C. and Walsh, Tiffany R. (2018). A predictive model of interfacial interactions between functionalised carbon fibre surfaces cross-linked with epoxy resin. Composites Science and Technology, 159, 127-134. doi: 10.1016/j.compscitech.2018.02.029

Synergistic interfacial effects of ionic liquids as sizing agents and surface modified carbon fibers

Eyckens, Daniel J., Servinis, Linden, Scheffler, Christina, Wölfel, Enrico, Demir, Baris, Walsh, Tiffany R. and Henderson, Luke C. (2018). Synergistic interfacial effects of ionic liquids as sizing agents and surface modified carbon fibers. Journal of Materials Chemistry A, 6 (10), 4504-4514. doi: 10.1039/c7ta10516a

Electrochemical surface modification of carbon fibres by grafting of amine, carboxylic and lipophilic amide groups

Servinis, Linden, Beggs, Kathleen M., Scheffler, Christina, Wölfel, Enrico, Randall, James D., Gengenbach, Thomas R., Demir, Baris, Walsh, Tiffany R., Doeven, Egan H., Francis, Paul S. and Henderson, Luke C. (2017). Electrochemical surface modification of carbon fibres by grafting of amine, carboxylic and lipophilic amide groups. Carbon, 118, 393-403. doi: 10.1016/j.carbon.2017.03.064

Design rules for enhanced interfacial shear response in functionalized carbon fiber epoxy composites

Demir, Baris, Henderson, Luke C. and Walsh, Tiffany R. (2017). Design rules for enhanced interfacial shear response in functionalized carbon fiber epoxy composites. ACS Applied Materials and Interfaces, 9 (13), 11846-11857. doi: 10.1021/acsami.6b16041

Adsorption of perfluorohexane in BAM-P109 type activated carbon via molecular simulation

Demir, Baris and Ahunbay, M. Goktug (2016). Adsorption of perfluorohexane in BAM-P109 type activated carbon via molecular simulation. Adsorption Science and Technology, 34 (1), 79-92. doi: 10.1177/0263617415619535

A robust and reproducible procedure for cross-linking thermoset polymers using molecular simulation

Demir, Baris and Walsh, Tiffany R. (2016). A robust and reproducible procedure for cross-linking thermoset polymers using molecular simulation. Soft Matter, 12 (8), 2453-2464. doi: 10.1039/c5sm02788h

Correction: Determination of Kamlet–Taft parameters for selected solvate ionic liquids

Eyckens, Daniel J., Demir, Baris, Walsh, Tiffany R., Welton, Tom and Henderson, Luke C. (2016). Correction: Determination of Kamlet–Taft parameters for selected solvate ionic liquids. Physical Chemistry Chemical Physics, 18 (29), 19975-19975. doi: 10.1039/c6cp90177h

Determination of Kamlet–Taft parameters for selected solvate ionic liquids

Eyckens, Daniel J., Demir, Baris, Walsh, Tiffany R., Welton, Tom and Henderson, Luke C. (2016). Determination of Kamlet–Taft parameters for selected solvate ionic liquids. Physical Chemistry Chemical Physics, 18 (19), 13153-13157. doi: 10.1039/c6cp01216g

Propane/propylene separation in ion-exchanged zeolite-like metal organic frameworks

Demir, Baris and Ahunbay, M. Goktug (2014). Propane/propylene separation in ion-exchanged zeolite-like metal organic frameworks. Microporous and Mesoporous Materials, 198, 185-193. doi: 10.1016/j.micromeso.2014.07.028

Prediction of perfluorohexane adsorption in BCR-704 zeolite via molecular simulation

Demir, Bariş and Ahunbay, M. Göktuǧ (2014). Prediction of perfluorohexane adsorption in BCR-704 zeolite via molecular simulation. Fluid Phase Equilibria, 366, 152-158. doi: 10.1016/j.fluid.2013.07.009

CO2/CH4 separation in ion-exchanged zeolite-like metal organic frameworks with soda lite topology (sod-ZMOFs)

Demir, Baris and Ahunbay, M. Goktug (2013). CO2/CH4 separation in ion-exchanged zeolite-like metal organic frameworks with soda lite topology (sod-ZMOFs). Journal of Physical Chemistry C, 117 (30), 15647-15658. doi: 10.1021/jp4033657

Silver-sodium ion exchange dynamics in LTA zeolite membranes

Salmas, Ramin Ekhteiari, Demir, Baris, Yidirim, Erol, Sirkecioglu, Ahmet, Yurtsever, Mine and Ahunbay, M. Goktug (2013). Silver-sodium ion exchange dynamics in LTA zeolite membranes. Journal of Physical Chemistry C, 117 (4), 1663-1671. doi: 10.1021/jp311534e

Optimization of carbon fiber surfaces for reinforcement in advanced polymer composites

Henderson, Luke C., Varley, Russell J., Stojcevski, Filip, Randall, James D., Eyckens, Daniel J., Demir, Baris and Walsh, Tiffany R. (2018). Optimization of carbon fiber surfaces for reinforcement in advanced polymer composites. Technical Conference of the American Society for Composites, Seattle, Washington, 24 -26 September 2018. Dayton, OH, United States: DEStech Publications.

Investigation of supercapacitors using molecular dynamics simulations

Demir, Baris (2019). Investigation of supercapacitors using molecular dynamics simulations. The University of Queensland. (Dataset) doi: 10.48610/d77302b