The diverse chemistry of protoplanetary disks as revealed by JWST

Faraday Discuss., 2023, 245,52-79
DOI: 10.1039/D3FD00010A, Paper
Ewine F. van Dishoeck, S. Grant, B. Tabone, M. van Gelder, L. Francis, L. Tychoniec, G. Bettoni, A. M. Arabhavi, D. Gasman, P. Nazari, M. Vlasblom, P. Kavanagh, V. Christiaens, P. Klaassen, H. Beuther, Th. Henning, I. Kamp
Early results from JWST-MIRI programs on low- and high-mass protostars and disks show significant diversity in their mid-infrared spectra, most notably for CO2, H2O and C2H2. Benzene is detected in disks around very low mass stars.
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Singlet oxygen formation in non-aqueous oxygen redox chemistry: direct spectroscopic evidence for formation pathways and reliability of chemical probes

Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00088E, Paper
Open Access Open Access
Soumyadip Mondal, Rajesh B. Jethwa, Bhargavi Pant, Robert Hauschild, Stefan A. Freunberger
We have shown direct spectroscopic evidence of the previously identified pathways for singlet oxygen (1O2) formation in non-aqueous oxygen redox chemistry.
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Bio-based ether solvent and ionic liquid electrolyte for sustainable sodium–air batteries

Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00096F, Paper
Pierre L. Stigliano, Nagore Ortiz-Vitoriano, Lidia Medinilla, Jason E. Bara, Juan Miguel López del Amo, Luis Lezama, Maria Forsyth, David Mecerreyes, Cristina Pozo-Gonzalo
A green, low-toxic diglyme isomer, 1,2,3-trimethoxypropane, has been studied, for the first time, as the electrolyte in sodium–air batteries reaching 2.31 mA h cm−2 discharge capacity and with NaO2 as the main discharge product.
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Effect of depth of discharge (DOD) on cycling in situ formed Li anodes

Faraday Discuss., 2023, Advance Article
DOI: 10.1039/D3FD00079F, Paper
Kiwoong Lee, Jeff Sakamoto
This study demonstrates that the stability of cycling in situ Li anodes depends on their depth of discharge (DOD). High DOD cycling results in unstable performance due to the accumulation of interfacial degradation at Li/LLZO interfaces.
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Spiers Memorial Lecture: Astrochemistry at high resolution

Faraday Discuss., 2023, 245,11-51
DOI: 10.1039/D3FD00106G, Paper
Open Access Open Access
Cecilia Ceccarelli
This Spiers Memorial Lecture introduces the Faraday Discussion on ‘Astrochemistry at high resolution’, focusing on the special case of interstellar complex organic molecules (iCOMs).
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Interaction of surface cations of cleaved mica with water in vapor and liquid forms

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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Direct frequency comb spectroscopy of HCN to evaluate line lists

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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A statistical and machine learning approach to the study of astrochemistry

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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A solid-state Li–air battery: computational studies of interfaces and relevance to discharge mechanism

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

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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