RSC - Faraday Discuss. latest articles

Critical assessment of theoretical modelling of single-atom catalysts

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00112A, Paper

Open Access

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Halil Bilgin, Alessandro Bonardi, Matteo Spotti, Giovanni Di Liberto, Gianfranco Pacchioni
Accurate prediction of single-atom catalyst activity in the hydrogen evolution reaction via DFT demands methods that go beyond the traditional computational hydrogen electrode framework.
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Nanopores with dynamic pore opening diameter

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D6FD00004E, Paper

Savannah Silva, Xavier Mleziva, Anthony Dougman Cho, Christopher Maffeo, Bernadeta Srijanto, Ivan V. Vlassiouk, Ethan Cao, Aleksei Aksimentiev, Zuzanna S. Siwy
Silicon nitride nanopores containing a DNA modified gold layer exhibit salt concentration and pore diameter dependent rectification and memristive properties.
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Probing the structure of D2O ice layers on ALD-grown ZrO2, Al2O3 and TiO2 thin films by sum frequency generation (SFG) spectroscopy

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00152H, Paper

Open Access

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Xia Li, Susanne Gross, Thomas Haunold, Moon-Hyung Jang, Marketa Zukalova, Martin Jindra, Joanna E. Olszówka, Yu Lei, Štefan Vajda, Günther Rupprechter
Surface-specific SFG was used to reveal interactions between D₂O ice and various ALD-grown metal oxide films.
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Flexoelectric effect in flexible 2D nanofluidic channels

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00134J, Paper

Luyao Jia, Yangshi Shao, Jiabei Luo, Yuyan Su, Yujia Zhang, Xiong Pu
We report a flexo-ionic effect in which bending or flexing GO membranes generates ionic potentials, arising from strain gradient-induced dynamic ionic streaming potentials in humid 2D nanofluidic channels.
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Inducing nonlinear conductance and emergent memristance in open pores using blockers

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D6FD00008H, Paper

Open Access

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Raman Dhiman, Priyanshu R. Gupta, Nicholas X. Armendarez, Lyssa Lashus, Kyler Grogan, Malika Rao, Aida Fica, Ronald J. Vogler, Dominic Bujanos, Harekrushna Behera, Stephen A. Sarles, Manish Kumar
Blocker induced non-linearity and emergent memristance in open pores.
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Towards time resolved tip-enhanced Raman spectroscopy: TERS with chopped laser pulses

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00178A, Paper

Ana M. Gómez-Marín, Katrin F. Domke
The use of a mechanically chopped laser beam as the excitation source of an ambient tip-enhanced Raman (TER) spectrometer is studied, to increase the time resolution of this technique toward (sub)milliseconds.
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Surface vibrations, polaritons and their coupling to a 2D electron gas: interface-bound vibrations at the SrTiO3(001) surface

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00166H, Paper

Open Access

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Hannes Herrmann, Anne Oelschläger, Wolf Widdra
Vibrational spectroscopy reveals surface phonon polaritons at the SrTiO₃(001) surface with strong coupling to a surface 2D electron gas. It induces asymmetric Fano line shapes due to hybridization between surface phonon and plasmon polaritons.
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Evaluating Electrochemical Impedance Spectroscopy for SEI Characterization in Lithium and Sodium Metal Batteries

Faraday Discuss., 2026, Accepted Manuscript
DOI: 10.1039/D6FD00049E, Paper

Open Access

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Mohammed A. Zabara, Jeongjae Lee, Svetlana Menkin, Clare P. Grey
Electrochemical impedance spectroscopy (EIS) is widely used to probe the solid electrolyte interphase (SEI) in alkali-metal batteries, yet interpretation of impedance responses remains challenging due to the simultaneous influence of...
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Photo-modulation of proton/water transmembrane transport through bis(imidazole-amide)-tetrafluoro-azobenzene switch

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00115C, Paper

Paras Wanjari, Ioan Stroia, Mihail Barboiu
We report a photoswitchable azobenzene-based channel that envelops a coherent water wire and efficiently regulates water and proton transport across lipid bilayers using light as an external trigger.
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Energy-efficient time series processing in real-time with fluidic iontronic memristor circuits

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00168D, Paper

Open Access

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T. M. Kamsma, Y. Gu, C. Spitoni, M. Dijkstra, Y. Xie, R. van Roij
We propose a pathway toward iontronic circuits that can address established time series benchmark tasks, enabling performance comparisons and highlighting possible application domains for efficient real-time time series processing.
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Solvation-derived amorphous motifs in lithium-metal SEI

Faraday Discuss., 2026, Accepted Manuscript
DOI: 10.1039/D6FD00052E, Paper

Kangxuan Xia, Sha Tan, Enyuan Hu
The dominant fraction of the solid electrolyte interphase (SEI) on Li metal is often amorphous, yet most structural assignments continue to rely on techniques that preferentially identify crystalline phases. Here...
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Ionophilicity and transport dynamics of concentrated electrolytes in sub-nanometre graphite confinement

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00147A, Paper

Open Access

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Fulu Zhou, Paola Carbone
We investigate the evolution of ion selectivity in graphite nanochannels from dilute to water-in-salt regimes. Results show that the preferential adsorption of anions (TFSI⁻ and Cl⁻) is a low-concentration phenomenon that weakens with increasing molality.
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Modulating multivalent ion interaction in angstrom-scale confinement through solvent environment

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00157A, Paper

Open Access

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Xiaolin Yue, Mingzhan Wang, Dongchen Ying, Chong Liu
We show that ion uptake and selectivity of functionalized molybdenum disulfide channels in a dimethylformamide–water solvent system are governed by the interplay of binding-site deprotonation and dielectric effects.
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Atomic force nanorheology for in-situ exploration of nanoscale SEI layers in real-life rechargeable batteries electrodes.

Faraday Discuss., 2026, Accepted Manuscript
DOI: 10.1039/D6FD00053C, Paper

Open Access

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Mangayarkarasi Nagarathinam, Yue Chen, Oleg Victor Kolosov
Solid electrolyte interphase (SEI) is a nanoscale thin layer with complex nanomechanical properties that separates batteries negative electrode and the electrolyte to allow free flow of active ions (Li or...
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Mapping in-plane orientational order and correlation lengths in molecular films using azimuthal-scanning vibrational sum-frequency generation microscopy

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D6FD00005C, Paper

Open Access

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Nasim Mirzajani, Ben John, Martin Wolf, Martin Thämer, Alexander P. Fellows
We show the potential of an azimuthal-scanning approach in SFG microscopy for investigations into the role packing structure plays in the functional behavior in lipid membranes.
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Effect of hybrid field coupling in nanostructured surfaces on anisotropic signal detection in nanoscale infrared spectroscopic imaging methods

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D6FD00003G, Paper

Open Access

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Ayona James, Maryam Ali, Zekai Ye, Phan Thi Yen Nhi, Sharon Xavi, Mashiat Huq, Sajib Barua, Meng Luo, Yisak Tsegazab, Anna Elmanova, Robin Schneider, Olga Ustimenko, Sarmiza-Elena Stanca, Marco Diegel, Andrea Dellith, Uwe Hübner, Christoph Krafft, Jasmin Finkelmeyer, Maximilian Hupfer, Kalina Peneva, Matthias Zeisberger, Christin David, Martin Presselt, Daniela Täuber
The local infrared near-field in aligned monolayer perylene films on nanostructured Au surface is probed using high-precision mid-infrared photo-induced force microscopy (PiF-IR).
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When is nanoconfined water different from interfacial water?

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00165J, Paper

Open Access

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Xavier R. Advincula, Christoph Schran, Angelos Michaelides
We use machine-learning molecular dynamics with first-principles accuracy to probe water at graphene surfaces across slit widths ranging from the open-interface limit to angstrom-scale confinement.
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Decoupling Amine Evolution from Sulfur Delivery in High-Temperature Metal Sulfide Nanocrystal Synthesis

Faraday Discuss., 2026, Accepted Manuscript
DOI: 10.1039/D6FD00042H, Paper

Open Access

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Vincent Mauritz, Ryan W. Crisp
Thiourea and its N,N′-substituted derivatives are widely employed as sulfur precursors in the colloidal synthesis of metal sulfide nanomaterials. Here we demonstrate that these precursors exhibit an intrinsic limitation at...
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Decoupling interfacial processes in the formulation of fluorine-free lithium metal batteries

Faraday Discuss., 2026, Accepted Manuscript
DOI: 10.1039/D6FD00051G, Paper

Open Access

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Amy S Metlay, Susie Park, Sophia C Bracco, Lauren E. Marbella
Fluorine additives in lithium metal batteries are often correlated with improved performance, yet lead to challenges associated with cost, health, and safety. In this work, we formulate a series of...
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Mode selectivity in electron-promoted vibrational relaxation of chemisorbed hydrogen on molybdenum and tungsten surfaces

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00116A, Paper

Open Access

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Nils Hertl, Connor L. Box, Reinhard J. Maurer
First-principles electron–phonon coupling calculations were carried out for hydrogen adsorbed on the (100) and (110) surfaces of molybdenum and tungsten, enabling EHP-induced vibrational linewidths to be determined for all adsorbate modes.
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Probing interfacial vibrations with IR absorption spectroscopy: from molecular to mesoscopic and macroscopic surfaces

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00156K, Paper

Open Access

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Ashley M. Stingel, Bashar Moussa, Lilian Najm Alsayed, Dennis K. Hore, Poul B. Petersen
Solvation shell spectroscopy is a powerful method for probing vibrations at molecular interfaces as well as meso- and macroscopic interfaces, revealing how the solvent is perturbed and providing critical information on solute–solvent interactions.
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Exploring charge-transfer effects at metal–molecule interfaces through modeling surface-enhanced Raman spectroscopy (SERS)

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00117J, Paper

Open Access

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Imran Chaudhry, Gaohe Hu, Lasse Jensen
We show that a first-principles Raman bond model combined with a simplified time-dependent density functional theory can be used to gain insights into interfacial charge-transfer effects in surface-enhanced Raman scattering.
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In situ ATR-SEIRAS investigations on the effects of Li+ and dissolved O2 on electrochemical interfacial reorganisation in an ionic liquid

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00174A, Paper

Open Access

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Lucy J. Walters, Alex R. Neale, Thukshan Samarakoon, Kyunghee Chae, Richard Nichols, Laurence J. Hardwick
Interfacial reorganisation at a gold electrode within an ionic liquid (1-methyl-1-propylpyrrolidinium bis{(trifluoromethyl)sulfonyl}imide) electrolyte was investigated via in situ electrochemical attenuated total reflection surface-enhanced infrared absorption spectroscopy.
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Co-adsorption of aniline and H2 over Pd/Al2O3: an infrared spectroscopic study

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00169B, Paper

Open Access

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Annelouise M. McCullagh, David Lennon
The adsorption geometry of aniline during the co-adsorption of aniline/H₂ over a Pd/Al₂O₃ catalyst is investigated by infrared spectroscopy.
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The effect of ions on water alignment and its nonlinear optical response at metal electrodes

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00114E, Paper

Qiwei Yao, Mohammed Bin Jassar, Simone Pezzotti
Ions are more than spectators in electrochemical reactions. By modulating how water responds to the surface field, they reshape the solvation environment in close proximity to the electrode—where chemistry takes place.
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Methodological Optimisation and Interpretation of Coulometric Titration Time Analysis

Faraday Discuss., 2026, Accepted Manuscript
DOI: 10.1039/D6FD00041J, Paper

Open Access

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Matthew R. Burton, Yu Xia, Mauro Pasta
Coulometric titration time analysis (CTTA) has recently emerged as a powerful technique for quantifying the rate of solid electrolyte interphase (SEI) growth and elucidating the underlying mechanisms governing degradation in...
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Unravelling nanoscale chemistries in complex biological systems using photoinduced force microscopy (PiFM)

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00141B, Paper

Open Access

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Josh A. Davies-Jones, Jacob K. Pattem, Liana R. Azizova, Reem Al-Luaibi, David Morgan, Phil Stephens, Bo Hou, Aled Clayton, Wayne Nishio, Philip R. Davies
We employ photo-induced force microscopy, an atomic force microscopy based technique that directly measures forces arising from light-induced polarization in the near-field region, for nanoscale chemical mapping of complex biological systems.
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Coherent sum-frequency generation via continuous-wave laser excitation within plasmonic nanogap arrays

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00160A, Paper

Open Access

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Rakesh Arul, Caleb Todd, Yeeun Roh, Nicolas Spiesshofer, Fiona Bell, Jeremy J. Baumberg
We show that plasmonic multilayer aggregates enable continuous-wave coherent sum-frequency generation between mid-infrared and near-infrared light, achieving nonlinear upconversion efficiencies typically associated with ultrafast lasers.
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Reflection on the horizontal and vertical organization of water at oxide interfaces and their SFG vibrational signatures

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00176E, Paper

Open Access

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Álvaro Cimas, Sana Bougueroua, Yijing Yang, Nargiz Damirova, Terry Chauvin, Evgenii Iablonovskii, Marie-Pierre Gaigeot
The hydrophilic and hydrophobic wetting behaviors of SiO₂ and Al₂O₃ surfaces at PZC conditions are examined at the molecular level using graph theory.
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The influence of electrolyte concentration on the depth-dependent structural anisotropy of water at charged interfaces

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00155B, Paper

Open Access

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Álvaro Díaz Duque, Sarabjeet Kaur, Martin Wolf, Alexander P. Fellows, Martin Thämer
We investigate anisotropic water structure in contact with insoluble charged surfactants using our recently developed depth-resolved vibrational spectroscopy.
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Structure of interfacial water at gold electrodes during hydrogen evolution in alkaline medium: a spectroscopic study through isotopic dilution

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00113G, Paper

Open Access

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Nandita Mohandas, Tharangattu N. Narayanan, Angel Cuesta
Driven by the poor understanding of the hydrogen evolution reaction in alkaline medium, we studied the interfacial water structure at a polycrystalline Au electrode using in situ surface enhanced infrared and Raman spectroscopies.
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Unravelling the role of additives in the structure of non-aqueous media at the electrode surface under potential control

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00118H, Paper

Open Access

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Nathaniel J. D. Hill, Ciarán O’Brien, Paul M. Donaldson, Hansaem Jang, Bhavin Siritanaratkul, Gilberto Teobaldi, Alexander J. Cowan, Adrian M. Gardner
‘Through-electrode’ vibrational sum frequency generation elucidates the interface structure of CH₃CN in the electric double layer. Changes to micro-environments are observed in the presence of H₂O and N-methyl-2-pyrrolidone additives.
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Exploring the orientation of a PAS-domain protein at model protein interfaces with distinct secondary-structure content across nano- and micro-scales

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00177C, Paper

Open Access

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Montserrat Román Quintero, Mark Mero, Alexander Veber, Ljiljana Puskar, András Dér, Ferenc Bogár, Zsuzsanna Heiner
Chiral VSFG and nano-FTIR data show that protein adsorption is governed not only by electrostatics but also by the secondary-structure architecture of the underlying scaffold, which controls monolayer formation, molecular alignment, and hydration.
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Vibrational spectroscopic characterisation of fluorescent-protein-tagged and wild-type bacteria in surface-associated microdroplets

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00175G, Paper

Open Access

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Cassio Lima, Jontana Allkja, Rasmita Raval
Vibrational spectroscopy combined with PCA does not reveal biochemical differences between fluorescent-protein-tagged and wild-type bacteria in surface-associated microdroplets.
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Towards stimulando time-resolved infrared spectroscopy to study intermittent light-stimulated CO2 hydrogenation

Faraday Discuss., 2026, Advance Article
DOI: 10.1039/D5FD00150A, Paper

Open Access

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Floor A. Brzesowsky, Mees R. Emond, Jules van Leusden, Ramon Oord, Peter de Peinder, Bert M. Weckhuysen, Matteo Monai
This study showcases a novel stimulando spectroscopic approach for investigating the effect of intermittent catalyst stimulation, with the goal of providing more efficient stimulation strategies for dynamic and resonant catalysis.
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Chemical vs. electrochemical solid electrolyte interphase formation in potassium-ion batteries

Faraday Discuss., 2026, Accepted Manuscript
DOI: 10.1039/D6FD00043F, Paper

Open Access

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Ben Jagger, Yiming Xu, Christopher Allen, Mauro Pasta
Potassium-ion batteries (KIBs) are a promising beyond–lithium-ion chemistry, offering advantages similar to sodium-ion systems in terms of earth-abundant materials and safety, with the additional benefit of reversible graphite intercalation and...
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Phase Regulation via Dual Additives for Pure-blue Emitting Quasi-2D Perovskite Light Emitting Diodes

Faraday Discuss., 2026, Accepted Manuscript
DOI: 10.1039/D6FD00036C, Paper

Open Access

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Jinu Park, Seoyeon Park, Seongju Park, Hyunjin Cho, Doh C. Lee, Byungha Shin
Solution-processed mixed-halide quasi-2-dimensional (quasi-2D) perovskites offer precise bandgap tunability and high color purity, and their moderate exciton binding energies enable efficient inter-phase energy funneling, from wide-bandgap lower-n (where n denotes...
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First Principle calculations of the internal conversion and intersystem crossing rates of IDIC, Y6, and PC$_{70}$BM.

Faraday Discuss., 2026, Accepted Manuscript
DOI: 10.1039/D6FD00012F, Paper

Open Access

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Anna Leo, yassamina arbia, Alessandro Landi, Andrea Peluso
The efficiency of OSCs is controlled by elementary processes occurring within the donor and acceptor domains and at their interface. Herein, we introduce a fully quantum mechanical, first-principles framework for...
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ML-guided screening of chalcogenide perovskites as solar energy materials

Faraday Discuss., 2026, Accepted Manuscript
DOI: 10.1039/D6FD00030D, Paper

Open Access

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Diego A. Garzόn, Lauri Himanen, Luisa Andrade, Sascha Sadewasser, José A. Márquez
Chalcogenide perovskites have emerged as promising absorber materials for next-generation photovoltaic devices, yet their experimental realization remains limited by competing phases, structural polymorphism, and synthetic challenges. Here, we present a...
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Operando studies of solid electrolyte interphase (SEI) formation with the electrochemical-Surface Force Balance (e-SFB)

Faraday Discuss., 2026, Accepted Manuscript
DOI: 10.1039/D6FD00040A, Paper

Open Access

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Neave Taylor, Susan Perkin
This study demonstrates the utility of the electrochemical-surface force balance (e-SFB) for observing solid electrolyte interphase (SEI) formation directly at an electrode surface. Through proof-of-concept measurements of lithium bis(trifluoromethanesulfonyl)imide (LiTFSI)...
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Machine Learning Modeling of Temperature-Dependent Optoelectronic Properties of Anharmonic Solid Solutions

Faraday Discuss., 2026, Accepted Manuscript
DOI: 10.1039/D6FD00032K, Paper

Open Access

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Pol Benítez Colominas, Cibrán López, Edgardo Saucedo, Claudio Cazorla
Leveraging strong optoelectronic responses to external stimuli, such as temperature and electric fields, is central to the development of advanced photonic technologies, including adaptive photodetectors and reconfigurable photovoltaic devices. However,...
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The Non-SEI Nature of the Magnesium Metal Anode Interphase in Chloride-based Glyme Electrolytes

Faraday Discuss., 2026, Accepted Manuscript
DOI: 10.1039/D6FD00029K, Paper

Open Access

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Sara Drvaric Talian, Joze Moskon, Blaž Slabajna, Črt Saksida, Olivera Luzanin, Tim Šlosar, Elena Tchernychova, Ivan Dacrema, Nemanja Latas, Urban Košir, Gregor Kapun, Miran Gaberscek, Robert Dominko
Magnesium metal anodes offer a promising pathway for high-energy-density post-lithium batteries, but their practical application is hindered by a poorly understood electrode-electrolyte interphase. While lithium metal anodes operate via an...
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