Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00114H, Paper

Open Access

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

Aditya Limaye, Dylan Suvlu, Adam P. Willard
We study the effects of changing electrolyte concentration on interfacial potential profiles, specifically comparing the predictions of continuum-level theory and all-atom molecular dynamics simulation.
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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00112A, Paper

Shuo Jin, Shifeng Hong, Xiaosi Gao, Yue Deng, Yong Lak Joo, Lynden A. Archer
Rechargeable metal–air batteries operated in ambient air fail as a result of complex anode surface reactions. Interphases composed of metallic In protect Li anodes, enabling Li–air batteries to operate in ambient air.
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Faraday Discuss., 2023, 245,181-198
DOI: 10.1039/D3FD00007A, Paper

Ko-Yun Huang, Serena Viti
We present an astrochemical modeling study with the aim of comparing shock chemistry traced by HNCO and SiO in two distinctively different environments: the AGN dominated region in the CND of NGC 1068 and the starburst-dominated region in the CMZ of NGC 253.
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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00118K, Paper

Open Access

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

Yang Yao, Sara Catalini, Paolo Foggi, Raffaele Mezzenga
We study the influence of excess water on the phase transition of lipidic mesophases from the cubic to reverse hexagonal phase. Excess water permeates the interface and forms additional hydrogen bonds with lipids, accelerating the lipid dynamics.
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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00115F, Paper

Open Access

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

Baptiste Coquinot, Maximilian Becker, Roland R. Netz, Lydéric Bocquet, Nikita Kavokine
This article introduces confined response functions, which provide a general framework for the Coulomb interactions of fluctuating matter in nanoscale confinement.
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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00100H, Paper

Pablo M. Piaggi, Annabella Selloni, Athanassios Z. Panagiotopoulos, Roberto Car, Pablo G. Debenedetti
A machine-learning force field paves the way for the simulation of heterogeneous ice nucleation on microcline from first principles.
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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00099K, Paper

Open Access

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

John A. Hayton, Michael B. Davies, Thomas F. Whale, Angelos Michaelides, Stephen J. Cox
We investigate the extent to which the size of the critical nucleus and the rate at which it grows in thin films of water are affected by the thickness of the film.
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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00124E, Paper

Open Access

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

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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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00082F, Paper

Open Access

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

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/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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