RSC – Faraday Discuss. latest articles- Rethinking Catalysis: Interpretable AI and Description of Real-World Conditions via Materials Genes February 6, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D5FD00137D, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Lucas Foppa, Matthias SchefflerDescriptors link basic physicochemical parameters that characterize the materials and the environment to the catalytic performance. Traditionally, descriptors are rooted in mechanistic understanding of elementary surface reactions gained from surface...The content […]Lucas Foppa
- An Interpretable Machine Learning Framework for Prediction of Adsorption Energies and Generative Design of Active Sites on Arbitrary Catalysts February 6, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D5FD00143A, PaperMatthew S. Johnson, Richard Henry West, Judit ZádorWe present a highly interpretable and efficient machine learning framework for predictive and generative modeling of adsorption energies on surfaces using subgraph isomorphic decision trees (SIDTs). Extracting graph representations of...The content of this RSS Feed (c) The Royal Society of ChemistryMatthew S. Johnson
- Rare earth ion transport and selectivity in large diameter nanotube porins February 6, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D6FD00006A, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Jobaer Abdullah, Yuhao Li, Zhongwu Li, Aleksandr NoySelective separation of rare earth elements (REEs) in nanoporous media is very challenging due to the similar physicochemical properties of trivalent lanthanide ions. In this work, we […]Jobaer Abdullah
- Photo-modulation of Proton / Water Transmembrane Transport through bis(imidazole-amide)-tetrafluoro-azobenzene switch February 5, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D5FD00115C, PaperParas Wanjari, Ioan Stroia, Mihail BarboiuWater and proton transport across biological membranes are essential for cellular function. The development of stimuli-responsive artificial transport systems to replace malfunctioning protein channels is crucial for potential therapeutic applications....The content of this RSS Feed (c) The Royal Society of ChemistryParas Wanjari
- Magnetic properties of high-entropy alloy nanostructures: general discussion February 5, 2026Faraday Discuss., 2026, Advance ArticleDOI: 10.1039/D5FD90065D, DiscussionStephan Barcikowski, Brian Cantor, Varun Chaudhary, Sheng Dai, Tushar Gupta, Andrea Kirsch, Tim Kunzmann, Chih-Heng Lee, Alfred Ludwig, Nicola Morley, Alexandre Nominé, Dierk Raabe, Natalia F. Shkodich, Dongsheng WenTo cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed […]Stephan Barcikowski
- The Influence of Electrolyte Concentration on the Depth-Dependent Structural Anisotropy of Water at Charged Interfaces February 5, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D5FD00155B, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Álvaro Díaz Duque, Sarabjeet Kaur, Martin Wolf, Alexander Paul Fellows, Martin Georg ThämerRevealing the structural properties of water at charged interfaces is key for a better understanding of interfacial processes in various fields such […]Álvaro Díaz Duque
- When does nanofluidic memory disappear? Understanding and reinstating memristive behavior of ionic liquids in two-dimensional nanochannels February 4, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D5FD00142K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Abdul Ismail, Jing Yang, Saurav Kalluvadiveetil, Luigi Maduro, Hiran Jyothilal, Robert Dryfe, Ashok Keerthi, Radha BoyaNanofluidic memristors rely on ionic transport in confined nanochannels that depends on the history of the applied voltage, producing […]Abdul Ismail
- In situ ATR-SEIRAS investigations on the effects of Li+ and dissolved O2 on electrochemical interfacial reorganisation in an ionic liquid February 3, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D5FD00174A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Lucy Walters, Alex R. Neale, Thukshan Samarakoon, Kyunghee Chae, Richard J. Nichols, Laurence J. HardwickInterfacial reorganisation at a gold electrode within an ionic liquid (1-methyl-1-propylpyrrolidinium bis{(trifluoromethyl)sulfonyl}imide, ([Pyrr13][TFSI])) electrolyte was investigated via in situ electrochemical […]Lucy Walters
- Structure-Controlled Sulfur Poisoning and Hydrogen-Induced Regeneration in Single Pd Nanoparticles Probed by Nanospectroscopy February 3, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D5FD00167F, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Mazal Carmiel, Yehonatan Hovav , Athanasios Theodoridis, Christoph Langhammer, Elad GrossStructural order and surface crystallinity of palladium nanoparticles (Pd NPs) significantly affect their chemical and mechanical stability, and impact their resistance to poisoning and […]Mazal Carmiel
- Role of monodentate formate in product selectivity for CO2 hydrogenation on Pd-based alloy catalysts February 3, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D5FD00125K, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Igor Kowalec, Herzain I. Rivera-Arrieta, Zhongwei Lu, Lucas Foppa, Matthias Scheffler, C. Richard A. Catlow, Andrew J LogsdailThe hydrogenation of CO2 to methanol is a key reaction for sustainable fuel synthesis. A crucial aspect […]Igor Kowalec
- Decoding ultrafast water transport in graphene oxide January 30, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D5FD00121H, PaperVikas Yadav, Sangram Kishor Behera, Anjan Das, CV Krishnamurthy, Manu JaiswalUltrafast water transport through the lamellar arrangement of flakes in graphene oxide is well established, but its origin has been debated in the literature. Here, we comprehensively examined water transport...The content of this RSS Feed (c) The Royal Society […]Vikas Yadav
- Photo modulated Fluidic Channels for Precise Delivery of Ions and Molecules January 30, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D5FD00131E, PaperKalyan Raidongia, Kiran Mayawad, Sonali Roy, Bipasha Saikia, Dibakar DasFabrication of remote-controlled ion and molecule delivery devices with sub-nanomolar accuracy possesses enormous potential of application in futuristic areas like bio-sensing, molecular machines, energy storage/harvesting, separation, and purification. Here, we...The content of this RSS Feed (c) The Royal Society of […]Kalyan Raidongia
- Ionic memory or electrode artefacts? A systematic assessment of nanofluidic memristors January 29, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D5FD00135H, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Siddhi Vinayak Pandey, Saurav Kalluvadiveetil, Goutham Solleti, Anshu Sharma, Ashok Keerthi, Radha BoyaNanofluidic memristors have recently emerged as a promising alternative to mimic brain-like synaptic functions for neuromorphic applications. Here, we observed that when […]Siddhi Vinayak Pandey
- Mapping In-plane Orientational Order and Correlation Lengths in Molecular Films using Azimuthal-Scanning Vibrational Sum-Frequency Generation Microscopy† January 28, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D6FD00005C, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Nasim Mirzajani, Ben John, Martin Wolf, Martin Georg Thämer, Alexander Paul FellowsSelf-assembled molecular films are omnipresent in nature, where their highly ordered anisotropic packing structures play a crucial role in governing the macroscopic properties […]Nasim Mirzajani
- Effect of hybrid field coupling in nanostructured surfaces on anisotropic signal detection in nanoscale infrared spectroscopic imaging methods January 28, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D6FD00003G, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ayona James, Maryam Ali, Zekai Ye, Phan Thi Yen Nhi, Sharon Xavi, Mashiat Ibtida Huq, Sajib Barua, Meng Luo, Yisak Tsegazab, Anna Elmanova, Robin Schneider, Olga Ustimenko, Sarmiza-Elena Stanca, Marco Diegel, Andrea Dellith, Uwe […]Ayona James
- Advanced structural characterization of high-entropy alloy nanostructures: general discussion January 27, 2026Faraday Discuss., 2026, Advance ArticleDOI: 10.1039/D5FD90064F, DiscussionDamien Alloyeau, Hakim Amara, Stephan Barcikowski, Florent Calvo, Marta Campolucci, Brian Cantor, Sheng Dai, Arne De Landsheere, Maria Letizia De Marco, Sae Dieb, Alexander S. Eggeman, Jonathan Ruiz Esquius, Andrea Kirsch, Henrik H. Kristoffersen, Syrine Krouna, Chih-Heng Lee, Tong Li, Alfred Ludwig, Jaysen Nelayah, Tobias Mølgaard Nielsen, Micha Polak, […]Damien Alloyeau
- Interpretable Bayesian Optimization for Catalyst Discovery January 27, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D5FD00159E, PaperAkhil S Nair, Lucas Foppa, Matthias SchefflerBayesian Optimization (BO) efficiently explores vast design spaces using probabilistic surrogate models, enabling the guided discovery of materials with desired properties. However, most BO frameworks rely on the knowledge of...The content of this RSS Feed (c) The Royal Society of ChemistryAkhil S Nair
- Kinetic restructuring of catalyst active sites: A MACE-APE study of fluxional Pdn/MgO (n=3-11) clusters January 26, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D5FD00138B, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Patricia Poths, King Chun Lai, Christoph Scheurer, Sebastian Matera, Karsten ReuterThe role of dynamic restructuring of catalytic interfaces under reaction conditions is of unquestionable impor- tance. Sub-nanocluster catalysts, consisting of just a few atoms […]Patricia Poths
- Speciation and hydration forces in sodium carbonate/bicarbonate aqueous solutions nanoconfined between mica sheets January 26, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D5FD00145E, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Daria Turculet, Shurui Miao, Kieran Agg, Susan PerkinThe equilibrium between hydrated and hydrolysed forms of CO2 in water is central to a multitude of processes in geology, oceanography and biology. Chemistry of the carbonate […]Daria Turculet
- Co-adsorption of aniline and H2 over Pd/Al2O3: An infrared spectroscopic study January 24, 2026Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D5FD00169B, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Annelouise McCullagh, David LennonIn order to rationalise high aniline selectivity in nitrobenzene hydrogenation over alumina-supported Pd catalysts, the adsorption complex geometry of aniline during co-adsorption of H2 and aniline on a 5 wt...The content […]Annelouise McCullagh
- Rethinking Catalysis: Interpretable AI and Description of Real-World Conditions via Materials Genes February 6, 2026
