Category Archives: RSC – Faraday Discuss.

Water dynamics and sum-frequency generation spectra at electrode/aqueous electrolyte interfaces

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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00103B, Paper
Jean-François Olivieri, James T. Hynes, Damien Laage
We perform molecular dynamics simulations of aqueous NaCl solutions at the interface with graphene electrodes, and examine the impact of both ion concentration and electrode potential on interfacial water reorientational dynamics.
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A solid-state Li–air battery: computational studies of interfaces and relevance to discharge mechanism

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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00083D, Paper
Nannan Shan, Anh T. Ngo, Alireza Kondari, Mohammad Asadi, Larry A. Curtiss
Calculated interface between Li2O and Li2O2 surfaces showing the extent of disorder at the interface. Such interfaces are probably present in the new solid-state Li–air battery described here and contribute to the discharge and charge mechanisms.
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A statistical and machine learning approach to the study of astrochemistry

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Faraday Discuss., 2023, 245,569-585
DOI: 10.1039/D3FD00008G, Paper
Johannes Heyl, Serena Viti, Gijs Vermariën
We use Bayesian inference together with the MOPED compression algorithm to help determine which species should be prioritised for future detections in order to better constrain the values of binding energies in the ISM.
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Direct frequency comb spectroscopy of HCN to evaluate line lists

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Faraday Discuss., 2023, 245,368-379
DOI: 10.1039/D3FD00019B, Paper
D. Michelle Bailey, Eric M. Crump, Joseph T. Hodges, Adam J. Fleisher
Direct frequency comb spectroscopy of HCN is performed using a high resolution, cross-dispersed spectrometer. Short-wave and mid-wave infrared instrumentation for precision molecular spectroscopy to test line lists is discussed.
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Interaction of surface cations of cleaved mica with water in vapor and liquid forms

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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00093A, Paper
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Giada Franceschi, Sebastian Brandstetter, Jan Balajka, Igor Sokolović, Jiří Pavelec, Martin Setvín, Michael Schmid, Ulrike Diebold
XPS and atomically resolved nc-AFM shed light on the interaction of the surface K+ ions of muscovite mica with water vapor and liquid water under ultraclean conditions.
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Effect of alkali-metal cation on oxygen adsorption at Pt single-crystal electrodes in non-aqueous electrolytes

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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00084B, Paper
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Julia Fernández-Vidal, Laurence J. Hardwick, Gema Cabello, Gary A. Attard
The effect of Group 1 alkali-metal cations (Na+, K+, and Cs+) on the oxygen reduction and evolution reactions (ORR and OER) using dimethyl sulfoxide (DMSO)-based electrolytes was investigated.
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Feasibility of achieving two-electron K–O2 batteries

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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00085K, Paper
Lei Qin, Huiling Ao, Yiying Wu
A low-barrier, two-step reaction pathway for peroxide-based K–O chemistry is first realized without any catalysts under the inert argon atmosphere.
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Collective motion of Nafion-based micromotors in water

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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00098B, Paper
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jordi Fraxedas, David Reguera, María José Esplandiu
We show how it is possible to design and fabricate self-propelling microswimmers based on Nafion, driven by ion-exchange, and fueled by innocuous salts.
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Biological lipid hydration: distinct mechanisms of interfacial water alignment and charge screening for model lipid membranes

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Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00117B, Paper
Open Access Open Access
Clara-Magdalena Saak, Lisa B. Dreier, Kevin Machel, Mischa Bonn, Ellen H. G. Backus
Counterions in solution and within a lipid monolayer differently neutralise charge- and dipole-induced water orientation.
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Concluding remarks: Faraday Discussion on astrochemistry at high resolution

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Faraday Discuss., 2023, 245,638-650
DOI: 10.1039/D3FD00131H, Paper
Open Access Open Access
Creative Commons Licence  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
T. J. Millar
This paper presents a brief history of astrochemistry, summarises recent research presented at this Faraday Discussion and offers some thoughts on the future development of the subject.
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