Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00133D, Paper

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Aaron R. Finney, Matteo Salvalaglio
CμMD simulations demonstrate the effect of applied surface charge and solution concentration on the structure and thermodynamic properties of ions and water in the electric double layer.
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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00097D, Paper

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Katarina E. Blow, Thomas F. Whale, David Quigley, Gabriele C. Sosso
We investigate the changes in enthalpy and configurational entropy under the insertion of an ammonium ion into ice. For a reasonable surface charge the most energetically stable configuration of ammonium in ice increases the configurational entropy.
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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00104K, Paper

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  This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.

Hidefumi Naito, Tomonari Sumi, Kenichiro Koga
The solute-size dependence of the osmotic second virial coefficient is calculated and the effect of the strength of solute–solvent attraction on the effective pair potential between solutes of varying size is examined.
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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00091E, Paper

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James H. J. Ellison, Clare P. Grey
We consider the requirements to be placed on an electrolyte for it be used in a practical lithium–air battery. Ways to ease these requirements by refining cell design and improving transport as well as motifs for future electrolytes are discussed.
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Faraday Discuss., 2023, 245,80-111
DOI: 10.1039/D3FD00075C, Paper

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Nikku Madhusudhan, Julianne I. Moses, Frances Rigby, Edouard Barrier
We investigate possible chemical conditions on a canonical Hycean world, focusing on the present and primordial molecular composition of the atmosphere, and the inventory of bioessential elements for the origin and sustenance of life in the ocean.
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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00095H, Paper

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C. Chen, X. Wang, K. Binder, U. Pöschl, H. Su, Y. Cheng
The structure of dissolved NaCl ions in an aqueous nanodroplet resembles the structure of a molten NaCl nanoparticle. With decreasing size, the similarity grows and the potential energy of NaCl in solution, the molten phase and the crystal phase converges.
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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00119A, Paper

Eric D. Wachsman, George V. Alexander, Roxanna Moores, Gibson Scisco, Christopher R. Tang, Michael Danner
Solid-state Li–O₂ battery, 3D architecture and cycling performance.
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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00111C, Paper

Rui Hou, Chu Li, Ding Pan
We compute the Raman and IR spectra of water nanoconfined by graphene at ambient and extreme pressure–temperature conditions using ab initio simulations.
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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00082F, Paper

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Shoichi Matsuda, Eiki Yasukawa, Shin Kimura, Shoji Yamaguchi, Kohei Uosaki
The ratio of electrolyte amount against areal capacity (E/C) has a large impact on the performance of stacked-type lithium–oxygen batteries. The unique cell degradation behavior during the charging process under low E/C conditions was also demonstrated.
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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00124E, Paper

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Malina Seyffertitz, Sebastian Stock, Max Valentin Rauscher, Christian Prehal, Sylvio Haas, Lionel Porcar, Oskar Paris
This study reports on the applicability of X-ray transmission, small- and wide-angle X-ray scattering and small-angle neutron scattering for investigating processes in the working electrode of an electric double-layer capacitor at different applied potentials.
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