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/D3FD00095H, Paper

Open Access

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

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, 245,80-111
DOI: 10.1039/D3FD00075C, Paper

Open Access

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

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/D3FD00091E, Paper

Open Access

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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, Advance Article
DOI: 10.1039/D3FD00104K, Paper

Open Access

  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/D3FD00097D, Paper

Open Access

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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/D3FD00133D, Paper

Open Access

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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/D3FD00113J, Paper

Open Access

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

Venkat Kapil, Dávid Péter Kovács, Gábor Csányi, Angelos Michaelides
We predict the quantum vibrational spectra of complex aqueous interfaces. We learn potentials that encode the quantum nuclear effects and physics-based models of dielectric responses, reducing quantum dynamics to classical molecular dynamics.
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Faraday Discuss., 2023, 245,112-137
DOI: 10.1039/D3FD00013C, Paper

Inga Kamp, Thomas Henning, Aditya M. Arabhavi, Giulio Bettoni, Valentin Christiaens, Danny Gasman, Sierra L. Grant, Maria Morales-Calderón, Benoît Tabone, Alain Abergel, Olivier Absil, Ioannis Argyriou, David Barrado, Anthony Boccaletti, Jeroen Bouwman, Alessio Caratti o Garatti, Ewine F. van Dishoeck, Vincent Geers, Adrian M. Glauser, Manuel Güdel, Rodrigo Guadarrama, Hyerin Jang, Jayatee Kanwar, Pierre-Olivier Lagage, Fred Lahuis, Michael Mueller, Cyrine Nehmé, Göran Olofsson, Eric Pantin, Nicole Pawellek, Giulia Perotti, Tom P. Ray, Donna Rodgers-Lee, Matthias Samland, Silvia Scheithauer, Jürgen Schreiber, Kamber Schwarz, Milou Temmink, Bart Vandenbussche, Marissa Vlasblom, Christoffel Waelkens, L. B. F. M. Waters, Gillian Wright
The Mid-InfraRed Instrument/Medium-Resolution Spectrometer (MIRI/MRS) on board the James Webb Space Telescope reveals the rich and diverse chemistry in the planet forming regions around Sun-like and low-mass stars.
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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD90036C, Discussion

Mickaël Avanthay, Belen Batanero, Dylan G. Boucher, Christoph Bondue, Pim Broersen, Richard C. D. Brown, Robert Francke, Toshio Fuchigami, Alexander Kuhn, Kevin Lam, Chia-Yu Lin, T. Leo Liu, Long Luo, Shelley D. Minteer, Kevin Moeller, Toshiki Nokami, Robert Price, Shahid Rasul, Eniola Sokalu
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