Faraday Discussions

Article	Citations
Exploring the orientation of a PAS-domain protein at model protein interfaces with distinct secondary-structure content across nano- and micro-scales	101
The effect of ions on water alignment and its nonlinear optical response at metal electrodes	98
The effect of adsorbate induced surface strain on oxygen island formation on platinum surfaces	87
Interfacial engineering for redirecting CO2 electroreduction selectivity on boron-doped diamond: from formic acid to carbon monoxide	65
Detection limits of calcium by EELS, TEM-EDX and X-ray absorption spectroscopy for biomineralization studies	56
Fiber formation seen through the high-resolution computational microscope	55
Accurate and reliable thermochemistry by data analysis of complex thermochemical networks using Active Thermochemical Tables: the case of glycine thermochemistry	53
List of participants	52
Multimodal nanoparticle analysis enabled by a polymer electrolyte nanopore combined with nanoimpact electrochemistry	51
Water molecules mute the dependence of the double-layer potential profile on ionic strength	48
Amplified spontaneous emission from a liquid crystalline phase: anisotropic property and active modulation	47
Poster list	43
Modelling photoelectron spectra in solution: adenosine as a test case	36
Front cover	34
Interfaces at the nano scale: general discussion	33
Accurate and interpretable representation of correlated electronic structure via Tensor Product Selected CI	33
Spiers Memorial Lecture: Shielding the active site: a streptavidin superoxide-dismutase chimera as a host protein for asymmetric transfer hydrogenation	31
The mechanochemical excitation of crystalline LiN 3	31
Structural modifications to platinum( ii ) pincer complexes resulting in changes in their vapochromic and solvatochromic properties	31
Stability and structure of the aqueous LiTFSI–LiCl interface	30
Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations	29
Using supramolecular gels: general discussion	29
Transformations in crystals of DNA-functionalized nanoparticles by electrolytes	27
Modelling adsorbate coverage on complex alloy surfaces	27
Nanoalloy structures and catalysis part 2: general discussion	27

Overdetermination method for accurate dynamic ion correlations in highly concentrated electrolytes	27
Electroorganic synthesis in aqueous solution via generation of strongly oxidizing and reducing intermediates	26
Spiers Memorial Lecture: Multicomponent and high-entropy materials: an overview	25
Heterogeneous catalytic and chemical looping routes to N 2 activation: general discussion	24
Discovery of highly anisotropic dielectric crystals with equivariant graph neural networks	24
Time-resolved extreme ultraviolet photoelectron spectroscopy of 4-bromophenotate anions in a liquid jet	24
Bimolecular collision outcomes on multidimensional potential energy surfaces: infrared spectroscopy and activation of NO–alkane collision complexes	23
Stochastic and low-scaling techniques/extended systems: general discussion	23
Crystal structure validation of verinurad via proton-detected ultra-fast MAS NMR and machine learning	23
Role of Tin Seed Layers in SEI Evolution and Lithium Electrodeposition	23
Bond dissociation energies of lignin–carbohydrate complexes	23
The formation of a lithium–iridium complex hydride toward ammonia synthesis	22
Direct observation by high resolution transmission electron microscopy of gold( iii ) particle transformation during aging reduction reaction	22
Spiers Memorial Lecture: From cold to hot, the structure and structural dynamics of dense ionic fluids	22
Degradation of PET microplastic particles to monomers in human serum by PETase	21
Uncovering the role of non-covalent interactions in solid-state photoswitches by non-spherical structure refinements with NoSpherA2	21
Piezoelectric harvesting of mechanical energy for redox chemistry	20
The use of kraft lignin to enhance nanocellulose film properties	19
Knowledge distillation of neural network potential for molecular crystals	19
Exploring the sensitivities of experimental techniques to various types of membrane asymmetry using atomistic simulations	19
Understanding the stability of the solid electrolyte interphase formed by vinylene carbonate and fluoroethylene carbonate in sodium-ion batteries	19
Inelastic scattering of NO(A 2 Σ + ) + CO 2 : r	19
Rapidly convergent quantum Monte Carlo using a Chebyshev projector	19
Thermally and base-triggered ‘debond-on-demand’ crosslinked polyurethane adhesives	19
Anode-Free LiNiO2 Battery: A High Energy Density, Low-Cost Cell Design	19
Surface segregation and mixing propensity in noble metal AgAuCuPdPt nanoalloys upon element enrichment – a computational perspective	19
The unexpected fast polymerization during the synthesis of a glycolated polythiophene	18
Template assisted lithium superoxide growth for lithium–oxygen batteries	18
Diluted PEDOT:PSS for high-performance organic light-emitting devices with thermally activated delayed fluorescence emitters	18
Melting point matters: designing lipid nanocarriers for improved T cell activation	18
List of participants	18
Rare earth ion transport and selectivity in large diameter nanotube porins	18
Metal anodes and protected interfaces: general discussion	18
Polymeric integration of structure-switching aptamers on transistors for histamine sensing	17
Experimental, theoretical, and astrochemical modelling investigation of the gas-phase reaction between the amidogen radical (NH 2 ) and acetaldehyde	17
Dispersions of magnetic nanoparticles in water/ionic liquid mixtures	17
Tailored carbon dioxide capacity in carboxylate-based ionic liquids	17
Evaluation of performance metrics for high energy density rechargeable lithium–oxygen batteries	17
Radiative cooling in silver and palladium doped gold clusters	17
Front cover	17
In situ measurements of gas–particle partitioning of organic compounds in Fairbanks	17
Fingerprinting fragments of fragile interstellar molecules: dissociation chemistry of pyridine and benzonitrile revealed by infrared spectroscopy and theory	17
Front cover	16
Novel perturbative and variational methods for stronger correlations: general discussion	16
Discovering trends in big data: general discussion	16
Thermodynamics of Ring-Opening Polymerisation Informatics Collection (TROPIC): a database to enable polymer chemical recycling	16
The “ η -sweet-spot” ( η max ) in liquid-assisted mechanochemistry: polymor	15
Characterization of Pt-doping effects on nanoparticle emission: a theoretical look at Au 24 Pt(SH) 18	15
Organic neuromorphics and bioelectronics: general discussion	15
Spiers Memorial Lecture: Old but new organic electrosynthesis: history and recent remarkable developments	15

Reactivity of high-entropy alloy nanoparticles under O 2 studied by in situ transmission electron micr	15
Transient IR spectroscopy of optically centrifuged CO 2 (R186–R282) and collision dynamics for the J =	15
Mapping in-plane orientational order and correlation lengths in molecular films using azimuthal-scanning vibrational sum-frequency generation microscopy	15
Iontronics under confinement: general discussion	15
Reducing undesired solubility of squarephaneic tetraimide for use as an organic battery electrode material	15
Tuning the degree of CO 2 activation by carbon doping Cu n	15
Spiers Memorial Lecture: Spin-mediated promotion of magnetic metal catalysts	15
Feasibility of achieving two-electron K–O 2 batteries	15
List of participants	14
Organosolv processing of Sitka spruce sawdust: large scale preparation of native-like lignin and lignin OX for valorisation	14
Real-Space Imaging of Valence-Electron Bonding Dynamics with Ultrafast Hard X-Ray Scattering	14
Sustainable ammonia synthesis through electrochemical dinitrogen activation using an Ag 2 VO 2 PO	14
Accurate predictions of chemical shifts with the rSCAN and r 2 SCAN mGGA exchange–correlation functionals	14
Measure – understanding of structural and electronic changes occurring within the relevant timescale of catalytic systems: general discussion	14
New horizons in nanoelectrochemistry: concluding remarks	14
Impacts of Arctic oil field NO x emissions on downwind bromine chemistry: insights from 5 years of	14
Poster list	14
Dynamics of carbene formation in the reaction of methane with the tantalum cation in the gas phase	13
Plasma membrane asymmetry and lipid homeostasis: general discussion	13
Uniform chi-squared model probabilities in NMR crystallography	13
Probing the structure of D 2 O ice layers on ALD-grown ZrO 2 , Al 2	13
List of participants	13
SEI chemistry enlightened by liquid Madelung potential analysis and MLFF-MD simulation	13
In situ ATR-SEIRAS investigations on the effects of Li + and dissolved O 2	13
Recent progress in understanding the solid electrolyte interphase of lithium and sodium metal anodes	13
Alternative routes to NH 3 and its application: general discussion	13
Manipulate – techniques to manipulate the surroundings of a synthetic catalyst to control activity and selectivity: general discussion	13
Scattering resonances in the rotational excitation of HDO by Ne and normal -H 2 : theory and experimen	13
Effect of hybrid field coupling in nanostructured surfaces on anisotropic signal detection in nanoscale infrared spectroscopic imaging methods	13
Revisiting the driving force inducing phase separation in PEG–phosphate aqueous biphasic systems	12
Advances in synthesis: general discussion	12
Efficient hydrogenolysis of lignocellulose into phenolic monomers over a CuO/m-ZrO 2 catalyst	12
Back cover	12
Advanced structural characterization of high-entropy alloy nanostructures: general discussion	12
Poster list	12
Kinetics and basic understanding: general discussion	12
Evaluation of microstructure and phase formation in nanocrystalline FeCoCuNbMo high-entropy alloy synthesised by mechanical alloying	12
List of participants	12
A screening of results on the decay length in concentrated electrolytes	12
Back cover	12
Seeing nanoscale electrocatalytic reactions at individual MoS 2 particles under an optical microscope: probing sub-mM oxygen reduction reaction	12
Interplay between interdiffusion and shape transformations in nanoalloys evolving from core–shell to intermixed structures	12
Spiers Memorial Lecture: New directions in molecular scattering	12
Lipid–GPCR interactions in an asymmetric plasma membrane model	12
Poster list	11
Dissolved LiO 2 or adsorbed LiO 2 ? The reactive superoxide during discharging process in lithium–	11
Machine-learning modeling of temperature-dependent optoelectronic properties of anharmonic solid solutions	11
Engineering the solid electrolyte interphase as a solid-state electrolyte	11
Disentangling multistep kinetics by combining electrochemical Arrhenius analysis with micro-kinetic modelling	11
Dynamics of collisions and uptake of alcohol molecules with hydrated nitric acid clusters	11
The limit of macroscopic homogeneous ice nucleation at the nanoscale	11
Towards stimulando time-resolved infrared spectroscopy to study intermittent light-stimulated CO 2 hyd	11
Mechanochemical synthesis of non-stoichiometric copper sulfide Cu 1.8 S applicable as a photocatalyst and antibacterial agent and synthesis scalabili	11
New insights into non-contact reflectance IR mapping of teeth	11
Rethinking catalysis: interpretable AI and description of real-world conditions via materials genes	11
A systematic mechanistic survey on the reactions between OH radical and CH 3 OH on ice	11
Single-molecule electrochemical imaging of ‘split waves’ in the electrocatalytic (EC′) mechanism	11
Mechanism of ammonia synthesis on Fe 3 Mo 3 N	11
Understanding dynamics and mechanisms: general discussion	11
Concluding remarks for Faraday Discussion on Water at Interfaces	11
Role of monodentate formate in product selectivity for CO 2 hydrogenation on Pd-based alloy catalysts	11
Soft matter–water interface: general discussion	11
Synthesizing high-entropy alloy nanoparticles: general discussion	11
Front cover	10
Ionic liquid overlayers stabilize ligand-coordinated oxide-supported single-atom Pd heterogeneous catalysts for partial hydrogenation of acetylene	10
Oxidation and de-alloying of PtMn particle models: a computational investigation	10
Poster list	10
Scattering at condensed-phase surfaces: general discussion	10
Biocatalytic pathways, cascades, cells and systems: general discussion	10
Selective transesterification mediated by lanthanum complexes in the copolymerisation of lactide and δ-valerolactone	10
Mechanochemical solid-state vinyl polymerization with anionic initiator	10
Real-time visualisation of ion exchange in molecularly confined spaces where electric double layers overlap	10
Challenges with relativistic GW calculations in solids and molecules	10
Back cover	10
The essential synergy of MD simulation and NMR in understanding amorphous drug forms	10
Unified quantum theory of electrochemical kinetics by coupled ion–electron transfer	10
Structure and dynamics of asymmetric membranes: general discussion	10
The impact of the Himalayan aerosol factory: results from high resolution numerical modelling of pure biogenic nucleation over the Himalayan valleys	10
Commercially available technical lignins: general discussion	10
Preface	10

Dielectric-free electrowetting on graphene	10
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies	9
Photo-modulation of proton/water transmembrane transport through bis(imidazole-amide)-tetrafluoro-azobenzene switch	9
Near-infrared vibrational second harmonic generation: a new nonlinear interfacial vibrational spectroscopy	9
Carbon dioxide hydrogenation on copper and nickel catalysts via a conformal sampling approach	9
Probing the influence of substrate binding on photocatalytic dehalogenation with a heteroleptic supramolecular [M 4 L a	9
High-throughput calculations and machine learning modeling of 17 O NMR in non-magnetic oxides	9
Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins	9
What is the question, what is the technique?: general discussion	9
Surface-induced symmetry breaking leads to unexpected vibrational activity of melem on Cu(111)	9
Unified adiabatic and diabatic excited-state description via the ensemble-variational quantum eigensolver	9
The diverse chemistry of protoplanetary disks as revealed by JWST	9
Barium hydride activates Ni for ammonia synthesis catalysis	9
ML-guided screening of chalcogenide perovskites as solar energy materials	9
Crystal nucleation in biominerals: general discussion	9
Synchrotron X-ray nanoprobe and correlative electron microscopy reveal the role of surface chemistry of self-assembling peptides in calcium phosphate nucleation	9
Thermophysical properties of adsorbates with beyond-DFT accuracy from DFT data through error cancellation	9
Spectrally Resolved X-Ray Scattering	9
Streamers feeding the SVS13-A protobinary system: astrochemistry reveals accretion shocks?	9
Boosting the activity of Mizoroki–Heck cross-coupling reactions with a supramolecular palladium catalyst favouring remote Zn⋯pyridine interactions	9
Investigating the effect of fusion partners on the enzymatic activity and thermodynamic stability of poly(ethylene terephthalate) degrading enzymes	9
Poster list	8
Effect of depth of discharge (DOD) on cycling in situ formed Li anodes	8
Revealing the diverse electrochemistry of nanoparticles with scanning electrochemical cell microscopy	8
Synthesis and characterization of stable nickel( ii ) complexes bearing long alkyl chains	8
Near-infrared responsive three-component supramolecular hydrogels of peptide, agarose and upconversion nanoparticles	8
Crossed molecular beam experiments and theoretical simulations on the multichannel reaction of toluene with atomic oxygen	8
Spiers Memorial Lecture: Challenges and prospects in organic photonics and electronics	8
Spiers Memorial Lecture: New horizons in nanoelectrochemistry	8
Investigating Halogen-Bond-Mediated Through-Space Activation of CO₂ for Electrocatalytic Reduction by Iron Porphyrins	8
The influence of higher order geometric terms on the asymmetry and dynamics of membranes	8
Combined 7 Li NMR, density functional theory and operando synchrotron X-ray powder diffraction to inve	8
Large property models: a new generative machine-learning formulation for molecules	8
Real-time gas evolution analysis of SEI formation in sodium-ion batteries using chip based electrochemistry mass spectrometry	8
List of participants	8
Imaging the orientation of hydroxyapatite crystallites across full mouse femora	8
List of participants	8
Optoelectronic conversion and polarization hysteresis in organic MISM and MISIM devices with DA-type single-component molecules	8
List of participants	8
Oyster larval biomineralisation – insights from electron backscatter diffraction	8
Electrochemical nitrogen reduction reaction over gallium – a computational and experimental study	8
Concluding remarks: Dense ionic fluids: because sometimes, more is more	8
List of participants	8
Mapping inorganic crystal chemical space	8
Operando detection and suppression of spurious singlet oxygen in Li–O 2 batteries	8
Beyond Minimum Energy Conical Intersections: A Data-Driven Reconstruction of the Accessible Intersection Seam	8
Ten crucial unknowns in atmospheric chemistry in the cold	8
Processing-driven chemical ordering and its effect on magnetic properties in a high entropy alloy	8
Reaction interferometry with ultracold molecules	8
Scanning electrochemical probe microscopy: general discussion	8
Stabilisation of FeCoNiCuPt high-entropy alloy nanoparticles by surface capping	8
Dual-selective polymerization: achieving chemoselectivity and stereoselectivity in a single catalytic system	8
Uptake of ammonia by ice surfaces at atmospheric temperatures	7
Fusion of asymmetric membranes: the emergence of a preferred direction	7
Contents list	7
Decoupling interfacial processes in the formulation of fluorine-free lithium metal batteries	7
Artificial, biomimetic and hybrid enzymes: general discussion	7
Electrochemical synthesis of high entropy nanoparticles and the exploration of the Pd–Ag–Au composition space for the oxygen reduction reaction	7
A comprehensive characterisation of natural aerosol sources in the high Arctic during the onset of sea ice melt	7
Concluding remarks: Atmospheric chemistry in cold environments	7
Spiers Memorial Lecture: Breakdown of universality in angstrom-scale flows	7
Deep eutectic solvents on a tightrope: balancing the entropy and enthalpy of mixing	7
Flexoelectric effect in flexible 2D nanofluidic channels	7
Effect of [Na + ]/[Li + ] concentration ratios in brines on lithium carbonate production through m	7
Self-sufficient metal–air battery systems enabled by solid-ion conductive interphases	7
Multicomponent supramolecular hydrogels composed of cationic phenylalanine derivatives and anionic amino acids	7
Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method	7
Operando X-ray mapping of ion transport and arrangement in a carbon-based supercapacitor electrode	7
Strategies for compatibilisation of extracted lignin properties with commercial applications: general discussion	7
Preface	7
Morphology, dynamic disorder, and charge transport in an indoloindole-based hole-transporting material from a multi-level theoretical approach	7
When does nanofluidic memory disappear? Understanding and reinstating memristive behavior of ionic liquids in two-dimensional nanochannels	7
Introducing electron correlation in solid-state calculations for superconducting states	7
Structure-controlled sulfur poisoning and hydrogen-induced regeneration in single Pd nanoparticles probed by nanospectroscopy	7
Stabilization of lithium metal in concentrated electrolytes: effects of electrode potential and solid electrolyte interphase formation	7
Operando surface-enhanced infrared spectroscopy reveals electric double layer evolution during solid electrolyte interphase formation	7
Contents list	7
Unraveling the tunable transient optical response of colloidal 2D Mo 1− x W	7
Application of high-entropy alloy nanostructures in electrocatalysis: general discussion	7
Inducing nonlinear conductance and emergent memristance in open pores using blockers	7
Modeling attainment in Fairbanks, Alaska, for the wintertime PM 2.5 24-hour non-attainment area using the CMAQ (community multi-scale air quality) mo	7
Designing mixed-metal electrocatalyst systems for photoelectrochemical dinitrogen activation	7
Disentangling physics and chemistry in AGB outflows: revealing degeneracies when adding complexity	7
Oxidation by ozone of linoleic acid monolayers at the air–water interface in multi-component films at 21 °C and 3 °C	7
Surface orientation-dependent electro-oxidation of a polycrystalline gold electrode	7
An organic transistor for detecting the oxidation of an organic sulfur compound at a solid–liquid interface and its chemical sensing applications	7
Towards controlling activity of a peptide asparaginyl ligase (PAL) by lumazine synthetase compartmentalization	7
Silica biomineralization in plants alters the structure of lignin	7
Contents list	7