Duignan TT - Search Results

1

Beyond the Debye-Hückel limit: Toward a general theory for concentrated electrolytes.

Dinpajooh M, Intan NN, Duignan TT, Biasin E, Fulton JL, Kathmann SM, Schenter GK, Mundy CJ. Dinpajooh M, et al. Among authors: duignan tt. J Chem Phys. 2024 Dec 21;161(23):230901. doi: 10.1063/5.0238708. J Chem Phys. 2024. PMID: 39679505

2

The Potential of Neural Network Potentials.

Duignan TT. Duignan TT. ACS Phys Chem Au. 2024 Mar 21;4(3):232-241. doi: 10.1021/acsphyschemau.4c00004. eCollection 2024 May 22. ACS Phys Chem Au. 2024. PMID: 38800721 Free PMC article. Review.

3

Understanding the Electrochemical Extraction of Lithium from Ultradilute Solutions.

Sun K, Tebyetekerwa M, Zeng X, Wang Z, Duignan TT, Zhang X. Sun K, et al. Among authors: duignan tt. Environ Sci Technol. 2024 Feb 27;58(8):3997-4007. doi: 10.1021/acs.est.3c09111. Epub 2024 Feb 17. Environ Sci Technol. 2024. PMID: 38366979

4

High-Throughput Aqueous Electrolyte Structure Prediction Using IonSolvR and Equivariant Graph Neural Network Potentials.

Baker S, Pagotto J, Duignan TT, Page AJ. Baker S, et al. Among authors: duignan tt. J Phys Chem Lett. 2023 Oct 26;14(42):9508-9515. doi: 10.1021/acs.jpclett.3c01783. Epub 2023 Oct 16. J Phys Chem Lett. 2023. PMID: 37845640

5

Effect of fluoro and hydroxy analogies of diglyme on sodium-ion storage in graphite: a computational study.

Rathnayake RMNM, Searles DJ, Duignan TT, Zhao XS. Rathnayake RMNM, et al. Among authors: duignan tt. Phys Chem Chem Phys. 2023 Jul 19;25(28):19106-19115. doi: 10.1039/d3cp00903c. Phys Chem Chem Phys. 2023. PMID: 37428001

6

Salting-Up of Surfactants at the Surface of Saline Water as Detected by Tensiometry and SFG and Supported by Molecular Dynamics Simulation.

Nguyen CV, Peng M, Duignan TT, Nguyen AV. Nguyen CV, et al. Among authors: duignan tt. J Phys Chem B. 2022 Feb 10;126(5):1063-1075. doi: 10.1021/acs.jpcb.1c08114. Epub 2022 Feb 1. J Phys Chem B. 2022. PMID: 35103476

7

Lithium-Ion Transport Behavior in Thin-Film Graphite Electrodes with SEI Layers Formed at Different Current Densities.

Rangom Y, Duignan TT, Zhao XS. Rangom Y, et al. Among authors: duignan tt. ACS Appl Mater Interfaces. 2021 Sep 15;13(36):42662-42669. doi: 10.1021/acsami.1c09559. Epub 2021 Sep 7. ACS Appl Mater Interfaces. 2021. PMID: 34491729

8

Toward a First-Principles Framework for Predicting Collective Properties of Electrolytes.

Duignan TT, Kathmann SM, Schenter GK, Mundy CJ. Duignan TT, et al. Acc Chem Res. 2021 Jul 6;54(13):2833-2843. doi: 10.1021/acs.accounts.1c00107. Epub 2021 Jun 17. Acc Chem Res. 2021. PMID: 34137593

9

The surface potential explains ion specific bubble coalescence inhibition.

Duignan TT. Duignan TT. J Colloid Interface Sci. 2021 Oct 15;600:338-343. doi: 10.1016/j.jcis.2021.04.144. Epub 2021 May 4. J Colloid Interface Sci. 2021. PMID: 34030005

10

From Surface Tension to Molecular Distribution: Modeling Surfactant Adsorption at the Air-Water Interface.

Peng M, Duignan TT, Nguyen CV, Nguyen AV. Peng M, et al. Among authors: duignan tt. Langmuir. 2021 Feb 23;37(7):2237-2255. doi: 10.1021/acs.langmuir.0c03162. Epub 2021 Feb 9. Langmuir. 2021. PMID: 33559472

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