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2020 Journal Article Cover Feature: Potassium‐ion storage in cellulose‐derived hard carbon: the role of functional groupsNanjundan, Ashok Kumar, Gaddam, Rohit Ranganathan, Farokh Niaei, Amir H., Annamalai, Pratheep K., Dubal, Deepak P., Martin, Darren James, Yamauchi, Yusuke, Searles, Debra J. and Zhao, Xiu Song (2020). Cover Feature: Potassium‐ion storage in cellulose‐derived hard carbon: the role of functional groups. Batteries and Supercaps, 3 (9) batt.202000183, 791-791. doi: 10.1002/batt.202000183 |
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2020 Journal Article New epoxy thermosets derived from a bisimidazolium ionic liquid monomer: an experimental and modeling investigationRadchenko, 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 |
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2020 Journal Article Graphdiyne and hydrogen-substituted graphdiyne as potential cathode materials for high-capacity aluminum-ion batteriesDebnath, Shaikat, Phan, Calvin, Searles, Debra J. and Hankel, Marlies (2020). Graphdiyne and hydrogen-substituted graphdiyne as potential cathode materials for high-capacity aluminum-ion batteries. ACS Applied Energy Materials, 3 (8) acsaem.0c00805, 7404-7415. doi: 10.1021/acsaem.0c00805 |
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2020 Journal Article Low-fouling fluoropolymers for bioconjugation and in vivo trackingFu, 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 |
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2020 Journal Article Shaping the Future of solid-state electrolytes through computational modelingBaktash, Ardeshir, Reid, James C., Yuan, Qinghong, Roman, Tanglaw and Searles, Debra J. (2020). Shaping the Future of solid-state electrolytes through computational modeling. Advanced Materials, 32 (18) 1908041, 1908041. doi: 10.1002/adma.201908041 |
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2020 Journal Article Low‐fouling fluoropolymers for bioconjugation and in vivo trackingFu, 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 |
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2020 Other Outputs Colour Diffusion implementation in CP2KReid, James, Kahl, Emily, Baktash, Ardeshir and Bernhardt, Debra (2020). Colour Diffusion implementation in CP2K. The University of Queensland. (Dataset) doi: 10.14264/fa2163e |
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2020 Journal Article Insights into the trapping mechanism of light metals on C2N-h2D: Utilisation as an anode material for metal ion batteriesHussain, Tanveer, Searles, Debra J. and Hankel, Marlies (2020). Insights into the trapping mechanism of light metals on C2N-h2D: Utilisation as an anode material for metal ion batteries. Carbon, 160, 125-132. doi: 10.1016/j.carbon.2019.12.063 |
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2020 Journal Article Highly ordered macroporous dual-element-doped carbon from metal–organic frameworks for catalyzing oxygen reductionXia, Wei, Hunter, Michelle A., Wang, Jiayu, Zhu, Guoxun, Warren, Sarah J., Zhao, Yingji, Bando, Yoshio, Searles, Debra J., Yamauchi, Yusuke and Tang, Jing (2020). Highly ordered macroporous dual-element-doped carbon from metal–organic frameworks for catalyzing oxygen reduction. Chemical Science, 11 (35), 9584-9592. doi: 10.1039/d0sc02518f |
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2019 Journal Article Three-dimensional silicon carbide from siligraphene as a high capacity lithium ion battery anode materialHussain, Tanveer, Farokh Niaei, Amir H., Searles, Debra J. and Hankel, Marlies (2019). Three-dimensional silicon carbide from siligraphene as a high capacity lithium ion battery anode material. The Journal of Physical Chemistry Part C, 123 (45) acs.jpcc.9b06151, 27295-27304. doi: 10.1021/acs.jpcc.9b06151 |
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2019 Journal Article Evaluating the catalytic efficiency of paired, single-atom catalysts for the oxygen reduction reactionHunter, Michelle A., Fischer, Julia M. T. A., Yuan, Qinghong, Hankel, Marlies and Searles, Debra J. (2019). Evaluating the catalytic efficiency of paired, single-atom catalysts for the oxygen reduction reaction. ACS Catalysis, 9 (9), 7660-7667. doi: 10.1021/acscatal.9b02178 |
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2019 Journal Article Computational study on the adsorption of sodium and calcium on edge-functionalized graphene nanoribbonsFarokh Niaei, Amir H., Roman, Tanglaw, Hussain, Tanveer and Searles, Debra J. (2019). Computational study on the adsorption of sodium and calcium on edge-functionalized graphene nanoribbons. The Journal of Physical Chemistry C, 123 (24) acs.jpcc.9b02003, 14895-14908. doi: 10.1021/acs.jpcc.9b02003 |
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2019 Journal Article Unlocking the potential of commercial carbon nanofibers as free-standing positive electrodes for flexible aluminum ion batteriesHu, Yuxiang, Debnath, Shaikat, Hu, Han, Luo, Bin, Zhu, Xiaobo, Wang, Songcan, Hankel, Marlies, Searles, Debra J. and Wang, Lianzhou (2019). Unlocking the potential of commercial carbon nanofibers as free-standing positive electrodes for flexible aluminum ion batteries. Journal of Materials Chemistry A, 7 (25), 15123-15130. doi: 10.1039/c9ta04085d |
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2019 Journal Article Doping Effects on the Performance of Paired Metal Catalysts for the Hydrogen Evolution ReactionHunter, Michelle A., Fischer, Julia M. T. A., Hankel, Marlies, Yuan, Qinghong and Searles, Debra J. (2019). Doping Effects on the Performance of Paired Metal Catalysts for the Hydrogen Evolution Reaction. Journal of Chemical Information and Modeling, 59 (5) acs.jcim.9b00179, 2242-2247. doi: 10.1021/acs.jcim.9b00179 |
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2019 Conference Publication Polymer viscosities from molecular simulation: Application to polymers for 3D printingRoman, Tanglaw, Rogers, Jarrod, Lee, Nyeunwoo, Kim, Jaehee, Reid, James, Khan, Ishrat, Sapateh, Genefine, Berry, Rajiv and Bernhardt, Debra (2019). Polymer viscosities from molecular simulation: Application to polymers for 3D printing. National Meeting of the American-Chemical-Society (ACS), Orlando Fl, Mar 31-Apr 04, 2019. WASHINGTON: AMER CHEMICAL SOC. |
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2019 Journal Article The link between the kinetics of gas hydrate formation and surface ion distribution in the low salt concentration regimeAsadi, Fariba, Ejtemaei, Majid, Birkett, Greg, Searles, Debra J. and Nguyen, Anh V. (2019). The link between the kinetics of gas hydrate formation and surface ion distribution in the low salt concentration regime. Fuel, 240, 309-316. doi: 10.1016/j.fuel.2018.11.146 |
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2018 Journal Article Hydrogenated defective graphene as an anode material for sodium and calcium ion batteries: a density functional theory studyFarokh Niaei, Amir H., Hussain, Tanveer, Hankel, Marlies and Searles, Debra J. (2018). Hydrogenated defective graphene as an anode material for sodium and calcium ion batteries: a density functional theory study. Carbon, 136, 73-84. doi: 10.1016/j.carbon.2018.04.034 |
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2018 Journal Article Coordination of atomic Co–Pt coupling species at carbon defects as active sites for oxygen reduction reactionZhang, Longzhou, Fischer, Julia Melisande Theresa Agatha, Jia, Yi, Yan, Xuecheng, Xu, Wei, Wang, Xiyang, Chen, Jun, Yang, Dongjiang, Liu, Hongwei, Zhuang, Linzhou, Hankel, Marlies, Searles, Debra J., Huang, Keke, Feng, Shouhua, Brown, Christopher L. and Yao, Xiangdong (2018). Coordination of atomic Co–Pt coupling species at carbon defects as active sites for oxygen reduction reaction. Journal of the American Chemical Society, 140 (34), 10757-10763. doi: 10.1021/jacs.8b04647 |
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2018 Journal Article How Low Nucleation Density of Graphene on CuNi Alloy is AchievedLiu, Yifan, Wu, Tianru, Yin, Yuling, Zhang, Xuefu, Yu, Qingkai, Searles, Debra J., Ding, Feng, Yuan, Qinghong and Xie, Xiaoming (2018). How Low Nucleation Density of Graphene on CuNi Alloy is Achieved. Advanced Science, 5 (6) 1700961, 1700961. doi: 10.1002/advs.201700961 |
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2018 Journal Article Interaction of boron nitride nanotubes with aluminum: a computational studyRohmann, Christoph, Yamakov, Vesselin I., Park, Cheol, Fay, Catharine, Hankel, Marlies and Searles, Debra J. (2018). Interaction of boron nitride nanotubes with aluminum: a computational study. The Journal of Physical Chemistry C, 122 (27), 15226-15240. doi: 10.1021/acs.jpcc.8b00774 |
