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2022 Journal Article Ultra-stable all-solid-state sodium metal batteries enabled by perfluoropolyether-based electrolytesWang, Xiaoen, Zhang, Cheng, Sawczyk, Michal, Sun, Ju, Yuan, Qinghong, Chen, Fangfang, Mendes, Tiago C., Howlett, Patrick C., Fu, Changkui, Wang, Yiqing, Tan, Xiao, Searles, Debra J., Král, Petr, Hawker, Craig J., Whittaker, Andrew K. and Forsyth, Maria (2022). Ultra-stable all-solid-state sodium metal batteries enabled by perfluoropolyether-based electrolytes. Nature Materials, 21 (9), 1057-1065. doi: 10.1038/s41563-022-01296-0 |
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2022 Journal Article Back Cover: Heterocyclic Conjugated Polymer Nanoarchitectonics with Synergistic Redox‐Active Sites for High‐Performance Aluminium Organic Batteries (Angew. Chem. Int. Ed. 25/2022)Peng, Xiyue, Xie, Yuan, Baktash, Ardeshir, Tang, Jiayong, Lin, Tongen, Huang, Xia, Hu, Yuxiang, Jia, Zhongfan, Searles, Debra J., Yamauchi, Yusuke, Wang, Lianzhou and Luo, Bin (2022). Back Cover: Heterocyclic Conjugated Polymer Nanoarchitectonics with Synergistic Redox‐Active Sites for High‐Performance Aluminium Organic Batteries (Angew. Chem. Int. Ed. 25/2022). Angewandte Chemie International Edition, 61 (25) e202206432. doi: 10.1002/anie.202206432 |
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2022 Journal Article New framework for computing a general local self-diffusion coefficient using statistical mechanicsHunter, 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 |
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2022 Journal Article Rücktitelbild: Heterocyclic Conjugated Polymer Nanoarchitectonics with Synergistic Redox‐Active Sites for High‐Performance Aluminium Organic Batteries (Angew. Chem. 25/2022)Peng, Xiyue, Xie, Yuan, Baktash, Ardeshir, Tang, Jiayong, Lin, Tongen, Huang, Xia, Hu, Yuxiang, Jia, Zhongfan, Searles, Debra J., Yamauchi, Yusuke, Wang, Lianzhou and Luo, Bin (2022). Rücktitelbild: Heterocyclic Conjugated Polymer Nanoarchitectonics with Synergistic Redox‐Active Sites for High‐Performance Aluminium Organic Batteries (Angew. Chem. 25/2022). Angewandte Chemie, 134 (25) e202206432. doi: 10.1002/ange.202206432 |
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2022 Journal Article Fully periodic, computationally efficient constant potential molecular dynamics simulations of ionic liquid supercapacitorsTee, Shern Ren and Searles, Debra J. (2022). Fully periodic, computationally efficient constant potential molecular dynamics simulations of ionic liquid supercapacitors. The Journal of Chemical Physics, 156 (18) 184101, 1-12. doi: 10.1063/5.0086986 |
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2022 Journal Article Heterocyclic conjugated polymer nanoarchitectonics with synergistic redox‐active sites for high‐performance aluminium organic batteriesPeng, Xiyue, Xie, Yuan, Baktash, Ardeshir, Tang, Jiayong, Lin, Tongen, Huang, Xia, Hu, Yuxiang, Jia, Zhongfan, Searles, Debra J., Yamauchi, Yusuke, Wang, Lianzhou and Luo, Bin (2022). Heterocyclic conjugated polymer nanoarchitectonics with synergistic redox‐active sites for high‐performance aluminium organic batteries. Angewandte Chemie International Edition, 61 (25) e202203646, e202203646. doi: 10.1002/anie.202203646 |
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2022 Journal Article Heterocyclic Conjugated Polymer Nanoarchitectonics with Synergistic Redox‐Active Sites for High‐Performance Aluminium Organic BatteriesPeng, Xiyue, Xie, Yuan, Baktash, Ardeshir, Tang, Jiayong, Lin, Tongen, Huang, Xia, Hu, Yuxiang, Jia, Zhongfan, Searles, Debra J., Yamauchi, Yusuke, Wang, Lianzhou and Luo, Bin (2022). Heterocyclic Conjugated Polymer Nanoarchitectonics with Synergistic Redox‐Active Sites for High‐Performance Aluminium Organic Batteries. Angewandte Chemie, 134 (25). doi: 10.1002/ange.202203646 |
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2022 Journal Article Equilibrium distribution functions: connection with microscopic dynamicsPetersen, Charlotte F. and Searles, Debra J. (2022). Equilibrium distribution functions: connection with microscopic dynamics. Physical Chemistry Chemical Physics, 24 (11), 6383-6392. doi: 10.1039/d1cp05316g |
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2021 Journal Article Thermoresponsive supramolecular assemblies from dendronized amphiphiles to form fluorescent spheres with tunable chiralityLiu, 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 |
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2021 Journal Article High-performance supercapacitor materials based on hierarchically porous carbons derived from Artocarpus heterophyllus seedMaji, 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 |
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2021 Journal Article Carbon nitrides as cathode materials for aluminium ion batteriesDebnath, Shaikat, Horscheck-Diaz, Marcos, Searles, Debra J. and Hankel, Marlies (2021). Carbon nitrides as cathode materials for aluminium ion batteries. Carbon, 183, 546-559. doi: 10.1016/j.carbon.2021.07.041 |
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2021 Journal Article Effect of defects and defect distribution on Li-diffusion and elastic properties of anti-perovskite Li3OCl solid electrolyteBaktash, 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 |
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2021 Journal Article Sc, Ge Co-doping NASICON boosts solid state sodium ion batteries performanceRan, 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 |
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2021 Journal Article Bandgap engineering of two-dimensional C3N bilayersWei, Wenya, Yang, Siwei, Wang, Gang, Zhang, Teng, Pan, Wei, Cai, Zenghua, Yang, Yucheng, Zheng, Li, He, Peng, Wang, Lei, Baktash, Ardeshir, Zhang, Quanzhen, Liu, Liwei, Wang, Yeliang, Ding, Guqiao, Kang, Zhenhui, Yakobson, Boris I., Searles, Debra J. and Yuan, Qinghong (2021). Bandgap engineering of two-dimensional C3N bilayers. Nature Electronics, 4 (7), 486-494. doi: 10.1038/s41928-021-00602-z |
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2021 Journal Article Dendronized polydiacetylenes via photo-polymerization of supramolecular assemblies showing thermally tunable chiralityLiu, 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 |
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2021 Journal Article Exploring the effect of interlayer distance of expanded graphite for sodium ion storage using first principles calculationsRathnayake, R. M. N. M., Duignan, Timothy T., Searles, Debra J. and Zhao, X. S. (2021). Exploring the effect of interlayer distance of expanded graphite for sodium ion storage using first principles calculations. Physical Chemistry Chemical Physics, 23 (4), 3063-3070. doi: 10.1039/d0cp06134d |
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2020 Journal Article Investigation of the ionic liquid graphene electric double layer in supercapacitors using constant potential simulationsDemir, 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 |
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2020 Journal Article Sulfur-based redox chemistry for electrochemical energy storageHuang, Xia, Luo, Bin, Chen, Peng, Searles, Debra J., Wang, Dan and Wang, Lianzhou (2020). Sulfur-based redox chemistry for electrochemical energy storage. Coordination Chemistry Reviews, 422 213445, 213445. doi: 10.1016/j.ccr.2020.213445 |
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2020 Journal Article Diffusion of lithium ions in lithium-argyrodite solid-state electrolytesBaktash, Ardeshir, Reid, James C., Roman, Tanglaw and Searles, Debra J. (2020). Diffusion of lithium ions in lithium-argyrodite solid-state electrolytes. npj Computational Materials, 6 (1) 162. doi: 10.1038/s41524-020-00432-1 |
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2020 Journal Article Accurate prediction of binding energies for two-dimensional catalytic materials using machine learningMelisande Fischer, Julia, Hunter, Michelle, Hankel, Marlies, Searles, Debra J., Parker, Amanda J. and Barnard, Amanda S. (2020). Accurate prediction of binding energies for two-dimensional catalytic materials using machine learning. ChemCatChem, 12 (20), 5109-5120. doi: 10.1002/cctc.202000536 |
