Faraday Discussions

Article	Citations
Transformations in crystals of DNA-functionalized nanoparticles by electrolytes	82
Amplified spontaneous emission from a liquid crystalline phase: anisotropic property and active modulation	78
Nanoalloy structures and catalysis part 2: general discussion	74
Using supramolecular gels: general discussion	56
Poster list	52
Front cover	52
Electroorganic synthesis in aqueous solution via generation of strongly oxidizing and reducing intermediates	48
Discovery of highly anisotropic dielectric crystals with equivariant graph neural networks	46
Accurate and interpretable representation of correlated electronic structure via Tensor Product Selected CI	44
Spiers Memorial Lecture: Shielding the active site: a streptavidin superoxide-dismutase chimera as a host protein for asymmetric transfer hydrogenation	40
List of participants	38
Interfaces at the nano scale: general discussion	35
Detection limits of calcium by EELS, TEM-EDX and X-ray absorption spectroscopy for biomineralization studies	32
Multimodal nanoparticle analysis enabled by a polymer electrolyte nanopore combined with nanoimpact electrochemistry	32
Exploring the orientation of a PAS-domain protein at model protein interfaces with distinct secondary-structure content across nano- and micro-scales	30
The effect of ions on water alignment and its nonlinear optical response at metal electrodes	29
Stability and structure of the aqueous LiTFSI–LiCl interface	29
Spiers Memorial Lecture: Multicomponent and high-entropy materials: an overview	29
Heterogeneous catalytic and chemical looping routes to N2 activation: general discussion	28
The mechanochemical excitation of crystalline LiN3	28
Structural modifications to platinum(ii) pincer complexes resulting in changes in their vapochromic and solvatochromic properties	27
Overdetermination method for accurate dynamic ion correlations in highly concentrated electrolytes	26
Water molecules mute the dependence of the double-layer potential profile on ionic strength	25
Accurate and reliable thermochemistry by data analysis of complex thermochemical networks using Active Thermochemical Tables: the case of glycine thermochemistry	24
Modelling adsorbate coverage on complex alloy surfaces	23

Fiber formation seen through the high-resolution computational microscope	23
Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations	23
Bimolecular collision outcomes on multidimensional potential energy surfaces: infrared spectroscopy and activation of NO–alkane collision complexes	22
Rapidly convergent quantum Monte Carlo using a Chebyshev projector	22
Stochastic and low-scaling techniques/extended systems: general discussion	22
Inelastic scattering of NO(A2Σ+) + CO2: rotation–rotation pair-correlated differential cross sections	22
Direct observation by high resolution transmission electron microscopy of gold(iii) particle transformation during aging reduction reaction	21
The formation of a lithium–iridium complex hydride toward ammonia synthesis	21
Bond dissociation energies of lignin–carbohydrate complexes	21
The use of kraft lignin to enhance nanocellulose film properties	20
Surface segregation and mixing propensity in noble metal AgAuCuPdPt nanoalloys upon element enrichment – a computational perspective	20
Piezoelectric harvesting of mechanical energy for redox chemistry	19
Degradation of PET microplastic particles to monomers in human serum by PETase	19
Spiers Memorial Lecture: From cold to hot, the structure and structural dynamics of dense ionic fluids	19
Crystal structure validation of verinurad via proton-detected ultra-fast MAS NMR and machine learning	19
Thermally and base-triggered ‘debond-on-demand’ crosslinked polyurethane adhesives	18
Uncovering the role of non-covalent interactions in solid-state photoswitches by non-spherical structure refinements with NoSpherA2	18
Exploring the sensitivities of experimental techniques to various types of membrane asymmetry using atomistic simulations	18
In situ measurements of gas–particle partitioning of organic compounds in Fairbanks	17
Knowledge distillation of neural network potential for molecular crystals	17
List of participants	17
Experimental, theoretical, and astrochemical modelling investigation of the gas-phase reaction between the amidogen radical (NH2) and acetaldehyde (CH3CHO) at low temperatures	17
Front cover	17
Template assisted lithium superoxide growth for lithium–oxygen batteries	16
Radiative cooling in silver and palladium doped gold clusters	16
The unexpected fast polymerization during the synthesis of a glycolated polythiophene	16
Polymeric integration of structure-switching aptamers on transistors for histamine sensing	16
Melting point matters: designing lipid nanocarriers for improved T cell activation	16
Diluted PEDOT:PSS for high-performance organic light-emitting devices with thermally activated delayed fluorescence emitters	16
Tuning the degree of CO2 activation by carbon doping Cun− (n = 3–10) clusters: an IR spectroscopic study	16
Evaluation of performance metrics for high energy density rechargeable lithium–oxygen batteries	15
Tailored carbon dioxide capacity in carboxylate-based ionic liquids	15
Discovering trends in big data: general discussion	15
Dispersions of magnetic nanoparticles in water/ionic liquid mixtures	15
Transient IR spectroscopy of optically centrifuged CO2 (R186–R282) and collision dynamics for the J = 244–282 states	15
Novel perturbative and variational methods for stronger correlations: general discussion	15
Characterization of Pt-doping effects on nanoparticle emission: a theoretical look at Au24Pt(SH)18 and Au24Pt(SC3H7)18	15
Thermodynamics of Ring-Opening Polymerisation Informatics Collection (TROPIC): a database to enable polymer chemical recycling	15
Rare earth ion transport and selectivity in large diameter nanotube porins	15
Metal anodes and protected interfaces: general discussion	15
Front cover	15
Reducing undesired solubility of squarephaneic tetraimide for use as an organic battery electrode material	14
Reactivity of high-entropy alloy nanoparticles under O 2 studied by in situ transmission electron micr	14
Feasibility of achieving two-electron K–O2 batteries	14
Fingerprinting fragments of fragile interstellar molecules: dissociation chemistry of pyridine and benzonitrile revealed by infrared spectroscopy and theory	14
Poster list	13
Spiers Memorial Lecture: Old but new organic electrosynthesis: history and recent remarkable developments	13
Plasma membrane asymmetry and lipid homeostasis: general discussion	13
The “η-sweet-spot” (ηmax) in liquid-assisted mechanochemistry: polymorph control and the role of a liquid additive as either a catalyst or an inhibitor in resonant acoustic mi	13
Manipulate – techniques to manipulate the surroundings of a synthetic catalyst to control activity and selectivity: general discussion	13

Organic neuromorphics and bioelectronics: general discussion	13
Impacts of Arctic oil field NOx emissions on downwind bromine chemistry: insights from 5 years of MAX-DOAS observations	13
List of participants	13
Measure – understanding of structural and electronic changes occurring within the relevant timescale of catalytic systems: general discussion	13
Alternative routes to NH3 and its application: general discussion	13
Iontronics under confinement: general discussion	13
New horizons in nanoelectrochemistry: concluding remarks	12
Back cover	12
List of participants	12
Accurate predictions of chemical shifts with the rSCAN and r2SCAN mGGA exchange–correlation functionals	12
Dynamics of carbene formation in the reaction of methane with the tantalum cation in the gas phase	12
Uniform chi-squared model probabilities in NMR crystallography	12
Poster list	12
Scattering resonances in the rotational excitation of HDO by Ne and normal-H2: theory and experiment	12
Sustainable ammonia synthesis through electrochemical dinitrogen activation using an Ag2VO2PO4 catalyst	12
Mapping in-plane orientational order and correlation lengths in molecular films using azimuthal-scanning vibrational sum-frequency generation microscopy	12
List of participants	12
Organosolv processing of Sitka spruce sawdust: large scale preparation of native-like lignin and lignin OX for valorisation	12
Back cover	11
Seeing nanoscale electrocatalytic reactions at individual MoS2 particles under an optical microscope: probing sub-mM oxygen reduction reaction	11
Poster list	11
Lipid–GPCR interactions in an asymmetric plasma membrane model	11
Understanding dynamics and mechanisms: general discussion	11
Interplay between interdiffusion and shape transformations in nanoalloys evolving from core–shell to intermixed structures	11
New insights into non-contact reflectance IR mapping of teeth	11
Evaluation of microstructure and phase formation in nanocrystalline FeCoCuNbMo high-entropy alloy synthesised by mechanical alloying	11
The limit of macroscopic homogeneous ice nucleation at the nanoscale	11
Mechanochemical synthesis of non-stoichiometric copper sulfide Cu1.8S applicable as a photocatalyst and antibacterial agent and synthesis scalability verification	11
Concluding remarks for Faraday Discussion on Water at Interfaces	11
Advances in synthesis: general discussion	11
Spiers Memorial Lecture: New directions in molecular scattering	11
Advanced structural characterization of high-entropy alloy nanostructures: general discussion	11
Revisiting the driving force inducing phase separation in PEG–phosphate aqueous biphasic systems	11
Effect of hybrid field coupling in nanostructured surfaces on anisotropic signal detection in nanoscale infrared spectroscopic imaging methods	11
Kinetics and basic understanding: general discussion	11
Mechanism of ammonia synthesis on Fe3Mo3N	11
Efficient hydrogenolysis of lignocellulose into phenolic monomers over a CuO/m-ZrO 2 catalyst	11
Dissolved LiO2 or adsorbed LiO2? The reactive superoxide during discharging process in lithium–oxygen batteries	11
A screening of results on the decay length in concentrated electrolytes	10
Probing the structure of D 2 O ice layers on ALD-grown ZrO 2 , Al 2	10
Single-molecule electrochemical imaging of ‘split waves’ in the electrocatalytic (EC′) mechanism	10
Structure and dynamics of asymmetric membranes: general discussion	10
Biocatalytic pathways, cascades, cells and systems: general discussion	10
In situ ATR-SEIRAS investigations on the effects of Li + and dissolved O 2	10
Poster list	10
Soft matter–water interface: general discussion	10
Mechanochemical solid-state vinyl polymerization with anionic initiator	10
The essential synergy of MD simulation and NMR in understanding amorphous drug forms	10
Machine Learning Modeling of Temperature-Dependent Optoelectronic Properties of Anharmonic Solid Solutions	10
Towards stimulando time-resolved infrared spectroscopy to study intermittent light-stimulated CO 2 hyd	10
Back cover	10
Preface	10
Synchrotron X-ray nanoprobe and correlative electron microscopy reveal the role of surface chemistry of self-assembling peptides in calcium phosphate nucleation	10
Scattering at condensed-phase surfaces: general discussion	10
Scanning electrochemical probe microscopy: general discussion	9
Unified quantum theory of electrochemical kinetics by coupled ion–electron transfer	9
Selective transesterification mediated by lanthanum complexes in the copolymerisation of lactide and δ-valerolactone	9
Commercially available technical lignins: general discussion	9
Oxidation and de-alloying of PtMn particle models: a computational investigation	9
Synthesizing high-entropy alloy nanoparticles: general discussion	9
The impact of the Himalayan aerosol factory: results from high resolution numerical modelling of pure biogenic nucleation over the Himalayan valleys	9
Probing the influence of substrate binding on photocatalytic dehalogenation with a heteroleptic supramolecular [M4La2Lb2] square containing PDI p	9
High-throughput calculations and machine learning modeling of 17O NMR in non-magnetic oxides	9
Boosting the activity of Mizoroki–Heck cross-coupling reactions with a supramolecular palladium catalyst favouring remote Zn⋯pyridine interactions	9
Role of monodentate formate in product selectivity for CO 2 hydrogenation on Pd-based alloy catalysts	9
Challenges with relativistic GW calculations in solids and molecules	9
A systematic mechanistic survey on the reactions between OH radical and CH3OH on ice	9
Dynamics of collisions and uptake of alcohol molecules with hydrated nitric acid clusters	9
Concluding remarks: Dense ionic fluids: because sometimes, more is more	9
List of participants	9
Spiers Memorial Lecture: New horizons in nanoelectrochemistry	9
Poster list	9
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies	9
Rethinking Catalysis: Interpretable AI and Description of Real-World Conditions via Materials Genes	9
Front cover	9
Real-time visualisation of ion exchange in molecularly confined spaces where electric double layers overlap	9
Dielectric-free electrowetting on graphene	9
Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins	9
Oyster larval biomineralisation – insights from electron backscatter diffraction	9
List of participants	9

Stabilisation of FeCoNiCuPt high-entropy alloy nanoparticles by surface capping	8
The diverse chemistry of protoplanetary disks as revealed by JWST	8
Barium hydride activates Ni for ammonia synthesis catalysis	8
Crystal nucleation in biominerals: general discussion	8
Dual-selective polymerization: achieving chemoselectivity and stereoselectivity in a single catalytic system	8
Surface-Induced Symmetry Breaking Leads to Unexpected Vibrational Activity of Melem on Cu(111)	8
Carbon Dioxide Hydrogenation on Copper and Nickel Catalysts via a Conformal Sampling Approach	8
Mapping inorganic crystal chemical space	8
Streamers feeding the SVS13-A protobinary system: astrochemistry reveals accretion shocks?	8
Combined 7Li NMR, density functional theory and operando synchrotron X-ray powder diffraction to investigate a structural evolution of cathode material LiFeV2O7	8
Large property models: a new generative machine-learning formulation for molecules	8
Effect of depth of discharge (DOD) on cycling in situ formed Li anodes	8
Synthesis and characterization of stable nickel( ii ) complexes bearing long alkyl chains	8
Near Infrared Vibrational Second Harmonic Generation: a New Nonlinear Interfacial Vibrational Spectroscopy	8
Real-Time Gas Evolution Analysis of SEI Formation in Sodium-Ion Batteries Using Chip Based Electrochemistry Mass Spectrometry	8
Photo-modulation of proton/water transmembrane transport through bis(imidazole-amide)-tetrafluoro-azobenzene switch	8
The influence of higher order geometric terms on the asymmetry and dynamics of membranes	8
ML-guided screening of chalcogenide perovskites as solar energy materials	8
Electrochemical nitrogen reduction reaction over gallium – a computational and experimental study	8
Investigating the effect of fusion partners on the enzymatic activity and thermodynamic stability of poly(ethylene terephthalate) degrading enzymes	8
Thermophysical properties of adsorbates with beyond-DFT accuracy from DFT data through error cancellation	8
List of participants	7
List of participants	7
Reaction interferometry with ultracold molecules	7
Processing-driven chemical ordering and its effect on magnetic properties in a high entropy alloy	7
Electrochemical synthesis of high entropy nanoparticles and the exploration of the Pd–Ag–Au composition space for the oxygen reduction reaction	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
Operando detection and suppression of spurious singlet oxygen in Li–O2 batteries	7
Concluding remarks: Atmospheric chemistry in cold environments	7
Optoelectronic conversion and polarization hysteresis in organic MISM and MISIM devices with DA-type single-component molecules	7
Effect of [Na+]/[Li+] concentration ratios in brines on lithium carbonate production through membrane electrolysis	7
Stabilization of lithium metal in concentrated electrolytes: effects of electrode potential and solid electrolyte interphase formation	7
Contents list	7
Near-infrared responsive three-component supramolecular hydrogels of peptide, agarose and upconversion nanoparticles	7
Ten crucial unknowns in atmospheric chemistry in the cold	7
A comprehensive characterisation of natural aerosol sources in the high Arctic during the onset of sea ice melt	7
Oxidation by ozone of linoleic acid monolayers at the air–water interface in multi-component films at 21 °C and 3 °C	7
Preface	7
Disentangling physics and chemistry in AGB outflows: revealing degeneracies when adding complexity	7
Uptake of ammonia by ice surfaces at atmospheric temperatures	7
Crossed molecular beam experiments and theoretical simulations on the multichannel reaction of toluene with atomic oxygen	7
Multicomponent supramolecular hydrogels composed of cationic phenylalanine derivatives and anionic amino acids	7
Contents list	7
Towards controlling activity of a peptide asparaginyl ligase (PAL) by lumazine synthetase compartmentalization	7
Self-sufficient metal–air battery systems enabled by solid-ion conductive interphases	7
Application of high-entropy alloy nanostructures in electrocatalysis: general discussion	7
Designing mixed-metal electrocatalyst systems for photoelectrochemical dinitrogen activation	7
Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method	7
Contents list	7
Spiers Memorial Lecture: Challenges and prospects in organic photonics and electronics	7
Revealing the diverse electrochemistry of nanoparticles with scanning electrochemical cell microscopy	7
Imaging the orientation of hydroxyapatite crystallites across full mouse femora	7
Deep eutectic solvents on a tightrope: balancing the entropy and enthalpy of mixing	6
Morphology, dynamic disorder, and charge transport in an indoloindole-based hole-transporting material from a multi-level theoretical approach	6
Artificial, biomimetic and hybrid enzymes: general discussion	6
Structural evolution under physical and chemical stimuli of metastable Au–Fe nanoalloys obtained by laser ablation in liquid	6
Six-dimensional quantum dynamics of an Eley–Rideal reaction between gaseous and adsorbed hydrogen atoms on Cu(111)	6
Surfactant-like peptide gels are based on cross-β amyloid fibrils	6
On synergy between ultrahigh throughput screening and machine learning in biocatalyst engineering	6
Preferential destruction of NH2-bearing complex interstellar molecules via gas-phase proton-transfer reactions	6
Force and stress calculations with a neural-network wave function for solids	6
Flexoelectric effect in flexible 2D nanofluidic channels	6
An organic transistor for detecting the oxidation of an organic sulfur compound at a solid–liquid interface and its chemical sensing applications	6
Silica biomineralization in plants alters the structure of lignin	6
Multicomponent systems: general discussion	6
Fusion of asymmetric membranes: the emergence of a preferred direction	6
Luminescence mechanism analysis of a TADF molecule showing peculiar thermal behavior	6
Linear ether-based highly concentrated electrolytes for Li–sulfur batteries	6
The interplay between snow and polluted air masses in cold urban environments	6
Atomistic insight into the interaction of aspartic acid species with calcium carbonate: model development	6
Back cover	6
Decoupling interfacial processes in the formulation of fluorine-free lithium metal batteries	6
Structure-Controlled Sulfur Poisoning and Hydrogen-Induced Regeneration in Single Pd Nanoparticles Probed by Nanospectroscopy	6
Strategies for compatibilisation of extracted lignin properties with commercial applications: general discussion	6
Modeling attainment in Fairbanks, Alaska, for the wintertime PM2.5 24-hour non-attainment area using the CMAQ (community multi-scale air quality) model	6
Operando X-Ray Mapping of Ion Transport and Arrangement in a Carbon-Based Supercapacitor Electrode	6
Unravelling the role of additives in the structure of non-aqueous media at the electrode surface under potential control	6
Tuning ester derivatives of organosolv vs. technical lignin for improved thermoplastic materials	6
Elucidating the mechanical properties of asymmetric membranes by direct derivation of their energetics	6
Doped metal clusters as bimetallic AuCo nanocatalysts: insights into structural dynamics and correlation with catalytic activity byin situspectroscopy	6
Contents list	6
Impact of counterion and salt form on the properties of long-acting injectable peptide hydrogels for drug delivery	5
Towards practical metal–oxygen batteries: general discussion	5
The accumulation of Li2CO3 in a Li–O2 battery with dual mediators	5
Front cover	5
Direct frequency comb spectroscopy of HCN to evaluate line lists	5
Utilisation and valorisation of distillery whisky waste streams via biomass electrolysis: electrosynthesis of hydrogen	5
Singlet fission is incoherent in pristine orthorhombic single crystals of rubrene: no evidence of triplet-pair emission	5
Back cover	5
List of participants	5
Electrochemical nucleation and growth kinetics: insights from single particle scanning electrochemical cell microscopy studies	5
Investigating temperature influences on shell growth and microstructural variations in bay scallops: insights from multiscale microscopy	5
In situ study of the evolution of NiFe nanocatalysts in reductive and oxidative environments upon thermal treatments	5
Front cover	5