Stable and Efficient Lithium Metal Anode Cycling through Understanding the Effects of Electrolyte Composition and Electrode Preconditioning
Rakov, Dmitrii, Hasanpoor, Meisam, Baskin, Artem, Lawson, John W, Chen, Fangfang, Cherepanov, Pavel V, Simonov, Alexandr N, Howlett, Patrick C, Forsyth, Maria
Published in Chemistry of materials (11.01.2022)
Published in Chemistry of materials (11.01.2022)
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Journal Article
Computational and Experimental Investigation of Li-Doped Ionic Liquid Electrolytes: [pyr14][TFSI], [pyr13][FSI], and [EMIM][BF4]
Haskins, Justin B, Bennett, William R, Wu, James J, Hernández, Dionne M, Borodin, Oleg, Monk, Joshua D, Bauschlicher, Charles W, Lawson, John W
Published in The journal of physical chemistry. B (25.09.2014)
Published in The journal of physical chemistry. B (25.09.2014)
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Journal Article
Decomposition of Ionic Liquids at Lithium Interfaces. 2. Gas Phase Computations
Haskins, Justin B, Yildirim, Handan, Bauschlicher, Charles W, Lawson, John W
Published in Journal of physical chemistry. C (28.12.2017)
Published in Journal of physical chemistry. C (28.12.2017)
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Journal Article
Discovery of novel Li SSE and anode coatings using interpretable machine learning and high-throughput multi-property screening
Honrao, Shreyas J., Yang, Xin, Radhakrishnan, Balachandran, Kuwata, Shigemasa, Komatsu, Hideyuki, Ohma, Atsushi, Sierhuis, Maarten, Lawson, John W.
Published in Scientific reports (13.08.2021)
Published in Scientific reports (13.08.2021)
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Journal Article
Molecular dynamics simulations of phenolic resin: Construction of atomistic models
Monk, Joshua D., Haskins, Justin B., Bauschlicher, Charles W., Lawson, John W.
Published in Polymer (Guilford) (07.04.2015)
Published in Polymer (Guilford) (07.04.2015)
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Journal Article
Microscopic deformation and failure modes of high‐functionality epoxy resins from bond breaking molecular dynamics simulations and experimental investigation
Jang, Chang Woon, Mullinax, J. Wayne, Kang, Jin Ho, Palmieri, Frank L., Hudson, Tyler B., Lawson, John W.
Published in Polymer engineering and science (01.12.2022)
Published in Polymer engineering and science (01.12.2022)
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Journal Article
Computational and Experimental Study of Phenolic Resins: Thermal–Mechanical Properties and the Role of Hydrogen Bonding
Monk, Joshua D, Bucholz, Eric W, Boghozian, Tane, Deshpande, Shantanu, Schieber, Jay, Bauschlicher, Charles W, Lawson, John W
Published in Macromolecules (27.10.2015)
Published in Macromolecules (27.10.2015)
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Journal Article
Energy-Composition Relations in Ni3(Al1−xXx) Phases
Zarkevich, Nikolai A., Smith, Timothy M., Lawson, John W.
Published in Crystals (Basel) (01.06.2023)
Published in Crystals (Basel) (01.06.2023)
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Journal Article
A high-throughput framework for lattice dynamics
Zhu, Zhuoying, Park, Junsoo, Sahasrabuddhe, Hrushikesh, Ganose, Alex M., Chang, Rees, Lawson, John W., Jain, Anubhav
Published in npj computational materials (14.11.2024)
Published in npj computational materials (14.11.2024)
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Journal Article
Structure and Energetics of Li+–(BF4 –) n , Li+–(FSI–) n , and Li+–(TFSI–) n : Ab Initio and Polarizable Force Field Approaches
Bauschlicher, Charles W, Haskins, Justin B, Bucholz, Eric W, Lawson, John W, Borodin, Oleg
Published in The journal of physical chemistry. B (11.09.2014)
Published in The journal of physical chemistry. B (11.09.2014)
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Journal Article
Failure of single phenolic chains and cross-links: Energetics, mechanisms, and alternative linker design
Bauschlicher, Charles W., Monk, Joshua D., Lawson, John W.
Published in Polymer (Guilford) (02.12.2015)
Published in Polymer (Guilford) (02.12.2015)
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Journal Article
Compositional Glass: A State with Inherent Chemical Disorder, Exemplified by Ti-rich Ni3(Al,Ti)1 D024 Phase
Zarkevich, Nikolai, Smith, Timothy, Baum, Eli, Lawson, John
Published in Crystals (Basel) (01.08.2022)
Published in Crystals (Basel) (01.08.2022)
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Journal Article
Anion-Assisted Delivery of Multivalent Cations to Inert Electrodes
Baskin, Artem, Lawson, John W, Prendergast, David
Published in The journal of physical chemistry letters (13.05.2021)
Published in The journal of physical chemistry letters (13.05.2021)
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Journal Article
Computational Design of Low Melting Eutectics of Molten Salts: A Combined Machine Learning and Thermodynamic Modeling Approach
Ravichandran, Ashwin, Honrao, Shreyas, Xie, Stephen, Fonseca, Eric, Lawson, John W.
Published in The journal of physical chemistry letters (11.01.2024)
Published in The journal of physical chemistry letters (11.01.2024)
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Journal Article