Faraday Discussions

Article	Citations
Quantum resonances and roaming dynamics in formaldehyde photodissociation	76
Transformations in crystals of DNA-functionalized nanoparticles by electrolytes	74
Electroorganic synthesis in aqueous solution via generation of strongly oxidizing and reducing intermediates	70
Amplified spontaneous emission from a liquid crystalline phase: anisotropic property and active modulation	67
Concluding remarks: discussion on natural and artificial enzymes including synthetic models	60
Nanoalloy structures and catalysis part 2: general discussion	55
Fiber formation seen through the high-resolution computational microscope	45
Using supramolecular gels: general discussion	45
Front cover	42
Poster list	40
Out-of-equilibrium dynamics driven by photoinduced charge transfer in CsCoFe Prussian blue analogue nanocrystals	39
Spiers Memorial Lecture: Shielding the active site: a streptavidin superoxide-dismutase chimera as a host protein for asymmetric transfer hydrogenation	39
Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations	38
Spiers Memorial Lecture: Multicomponent and high-entropy materials: an overview	32
Modelling adsorbate coverage on complex alloy surfaces	32
Overdetermination method for accurate dynamic ion correlations in highly concentrated electrolytes	30
List of participants	30
Interfaces at the nano scale: general discussion	29
Discovery of highly anisotropic dielectric crystals with equivariant graph neural networks	29
Electrochemical characterization of individual oil micro-droplets by high-frequency nanocapacitor array imaging	28
Detection limits of calcium by EELS, TEM-EDX and X-ray absorption spectroscopy for biomineralization studies	28
Interplay of structural and dynamical heterogeneity in the nucleation mechanism in nickel	27
Stability and structure of the aqueous LiTFSI–LiCl interface	27
The mechanochemical excitation of crystalline LiN3	27
Accurate and interpretable representation of correlated electronic structure via Tensor Product Selected CI	27

Comprehensive rear surface passivation of superstrate Sb2Se3 solar cells via post-deposition selenium annealing treatments and the application of an electron blocking laye	27
Reconstruction and validation of entire virus model with complete genome from mixed resolution cryo-EM density	26
Accurate and reliable thermochemistry by data analysis of complex thermochemical networks using Active Thermochemical Tables: the case of glycine thermochemistry	26
Structural modifications to platinum(ii) pincer complexes resulting in changes in their vapochromic and solvatochromic properties	25
Heterogeneous catalytic and chemical looping routes to N2 activation: general discussion	25
Inclusion of multiple cycling of potential in the deep neural network classification of voltammetric reaction mechanisms	24
Front cover	23
Water molecules mute the dependence of the double-layer potential profile on ionic strength	23
Stochastic and low-scaling techniques/extended systems: general discussion	23
Contents list	23
Multimodal nanoparticle analysis enabled by a polymer electrolyte nanopore combined with nanoimpact electrochemistry	23
Novel chalcogenides, pnictides and defect-tolerant semiconductors: general discussion	22
Spiers Memorial Lecture: From cold to hot, the structure and structural dynamics of dense ionic fluids	22
Uncovering the role of non-covalent interactions in solid-state photoswitches by non-spherical structure refinements with NoSpherA2	22
Inelastic scattering of NO(A2Σ+) + CO2: rotation–rotation pair-correlated differential cross sections	22
Oxidative dehalogenation of halophenols by high-valent nonheme iron(iv)-oxo intermediates	22
Bimolecular collision outcomes on multidimensional potential energy surfaces: infrared spectroscopy and activation of NO–alkane collision complexes	21
Direct observation by high resolution transmission electron microscopy of gold(iii) particle transformation during aging reduction reaction	21
Materials design and bonding: general discussion	21
Surface segregation and mixing propensity in noble metal AgAuCuPdPt nanoalloys upon element enrichment – a computational perspective	21
Bond dissociation energies of lignin–carbohydrate complexes	20
Knowledge distillation of neural network potential for molecular crystals	20
Piezoelectric harvesting of mechanical energy for redox chemistry	20
The formation of a lithium–iridium complex hydride toward ammonia synthesis	20
The use of kraft lignin to enhance nanocellulose film properties	20
Exploring the sensitivities of experimental techniques to various types of membrane asymmetry using atomistic simulations	20
Intermediate-spin iron(iv)-oxido species with record reactivity	19
Rapidly convergent quantum Monte Carlo using a Chebyshev projector	19
Degradation of PET microplastic particles to monomers in human serum by PETase	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
Contents list	18
Correction: Nucleation in sessile saline microdroplets: induction time measurement via deliquescence–recrystallization cycling	18
Template assisted lithium superoxide growth for lithium–oxygen batteries	17
Feasibility of achieving two-electron K–O2 batteries	17
Front cover	17
Experimental, theoretical, and astrochemical modelling investigation of the gas-phase reaction between the amidogen radical (NH2) and acetaldehyde (CH3CHO) at low temperatures	17
The unexpected fast polymerization during the synthesis of a glycolated polythiophene	17
Evaluation of performance metrics for high energy density rechargeable lithium–oxygen batteries	17
List of participants	17
Novel perturbative and variational methods for stronger correlations: general discussion	16
Radiative cooling in silver and palladium doped gold clusters	16
Electron-induced dissociation dynamics studied using covariance-map imaging	16
Transient IR spectroscopy of optically centrifuged CO2 (R186–R282) and collision dynamics for the J = 244–282 states	16
Discovering trends in big data: general discussion	16
Theory of out of equilibrium light-induced phenomena: general discussion	16
In situ measurements of gas–particle partitioning of organic compounds in Fairbanks	16
Metal anodes and protected interfaces: general discussion	16
Concluding remarks: emerging inorganic materials in thin-film photovoltaics	16
Formation sequence of solid electrolyte interphases and impacts on lithium deposition and dissolution on copper: an in situ atomic force microscopic study	15

Dispersions of magnetic nanoparticles in water/ionic liquid mixtures	15
Thermodynamics of Ring-Opening Polymerisation Informatics Collection (TROPIC): a database to enable polymer chemical recycling	15
Reactivity of high-entropy alloy nanoparticles under O 2 studied by in situ transmission electron micr	15
Tuning the degree of CO2 activation by carbon doping Cun− (n = 3–10) clusters: an IR spectroscopic study	15
Characterization of Pt-doping effects on nanoparticle emission: a theoretical look at Au24Pt(SH)18 and Au24Pt(SC3H7)18	15
On the mechanism of calcium carbonate polymorph selection via confinement	15
Melting point matters: designing lipid nanocarriers for improved T cell activation	15
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	15
Dynamics over a Cu–graphite electrode during the gas-phase CO2 reduction investigated by APXPS	15
Fingerprinting fragments of fragile interstellar molecules: dissociation chemistry of pyridine and benzonitrile revealed by infrared spectroscopy and theory	15
Reducing undesired solubility of squarephaneic tetraimide for use as an organic battery electrode material	15
Tailored carbon dioxide capacity in carboxylate-based ionic liquids	15
Polymeric integration of structure-switching aptamers on transistors for histamine sensing	15
Diluted PEDOT:PSS for high-performance organic light-emitting devices with thermally activated delayed fluorescence emitters	15
List of participants	14
State of the art energy conversion at the nanointerface: general discussion	14
Organic neuromorphics and bioelectronics: general discussion	14
Poster list	14
Measure – understanding of structural and electronic changes occurring within the relevant timescale of catalytic systems: general discussion	14
Concluding remarks: Directing and controlling materials and molecules	14
Cryomicroscopy in situ: what is the smallest molecule that can be directly identified without labels in a cell?	14
Spiers Memorial Lecture: Old but new organic electrosynthesis: history and recent remarkable developments	14
Iontronics under confinement: general discussion	14
Manipulate – techniques to manipulate the surroundings of a synthetic catalyst to control activity and selectivity: general discussion	14
Alternative routes to NH3 and its application: general discussion	13
Impacts of Arctic oil field NOx emissions on downwind bromine chemistry: insights from 5 years of MAX-DOAS observations	13
New horizons in nanoelectrochemistry: concluding remarks	13
Plasma membrane asymmetry and lipid homeostasis: general discussion	13
Organosolv processing of Sitka spruce sawdust: large scale preparation of native-like lignin and lignin OX for valorisation	13
Dynamics of carbene formation in the reaction of methane with the tantalum cation in the gas phase	13
Accurate predictions of chemical shifts with the rSCAN and r2SCAN mGGA exchange–correlation functionals	13
Scattering resonances in the rotational excitation of HDO by Ne and normal-H2: theory and experiment	13
Uniform chi-squared model probabilities in NMR crystallography	13
Concluding remarks for Faraday Discussion on Water at Interfaces	12
Poster list	12
Master equation modelling of non-equilibrium chemistry in stellar outflows	12
Understanding dynamics and mechanisms: general discussion	12
Poster list	12
Efficient hydrogenolysis of lignocellulose into phenolic monomers over a CuO/m-ZrO 2 catalyst	12
A post-deposition annealing approach for organic residue control in TiO2 and its impact on Sb2Se3/TiO2 device performance	12
Dissolved LiO2 or adsorbed LiO2? The reactive superoxide during discharging process in lithium–oxygen batteries	12
Accelerating research on novel photovoltaic materials	12
New insights into non-contact reflectance IR mapping of teeth	12
Interplay between interdiffusion and shape transformations in nanoalloys evolving from core–shell to intermixed structures	12
Advances in synthesis: general discussion	12
Mechanism of ammonia synthesis on Fe3Mo3N	12
List of participants	12
Sustainable ammonia synthesis through electrochemical dinitrogen activation using an Ag2VO2PO4 catalyst	12
Back cover	12
Seeing nanoscale electrocatalytic reactions at individual MoS2 particles under an optical microscope: probing sub-mM oxygen reduction reaction	12
Evaluation of microstructure and phase formation in nanocrystalline FeCoCuNbMo high-entropy alloy synthesised by mechanical alloying	12
Lipid–GPCR interactions in an asymmetric plasma membrane model	12
Kinetics and basic understanding: general discussion	11
Single-molecule electrochemical imaging of ‘split waves’ in the electrocatalytic (EC′) mechanism	11
Dynamics of collisions and uptake of alcohol molecules with hydrated nitric acid clusters	11
Preface	11
Revisiting the driving force inducing phase separation in PEG–phosphate aqueous biphasic systems	11
Poster list	11
A screening of results on the decay length in concentrated electrolytes	11
Studying the impact of the pre-exponential factor on templated nucleation	11
Scattering at condensed-phase surfaces: general discussion	11
Biocatalytic pathways, cascades, cells and systems: general discussion	11
Spiers Memorial Lecture: New directions in molecular scattering	11
Probing the Structure of D2O Ice Layers on ALD-grown ZrO2, Al2O3 and TiO2 Thin Films by Sum Frequency Generation (SFG) Spectroscopy	11
Back cover	11
Micron-sized biogenic and synthetic hollow mineral spheres occlude additives within single crystals	11
Soft matter–water interface: general discussion	11
Back cover	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
Real-time visualisation of ion exchange in molecularly confined spaces where electric double layers overlap	10
A systematic mechanistic survey on the reactions between OH radical and CH3OH on ice	10
Mechanochemical solid-state vinyl polymerization with anionic initiator	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
Concluding remarks: Dense ionic fluids: because sometimes, more is more	10
Scanning electrochemical probe microscopy: general discussion	10
High-throughput calculations and machine learning modeling of 17O NMR in non-magnetic oxides	10
Challenges with relativistic GW calculations in solids and molecules	10
Synchrotron X-ray nanoprobe and correlative electron microscopy reveal the role of surface chemistry of self-assembling peptides in calcium phosphate nucleation	10

Selective transesterification mediated by lanthanum complexes in the copolymerisation of lactide and δ-valerolactone	10
Disentangling multistep kinetics by combining electrochemical Arrhenius analysis with micro-kinetic modelling	10
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies	10
Influence of anisotropy on heterogeneous nucleation of gold nanorod assemblies	10
Boosting the activity of Mizoroki–Heck cross-coupling reactions with a supramolecular palladium catalyst favouring remote Zn⋯pyridine interactions	10
The impact of the Himalayan aerosol factory: results from high resolution numerical modelling of pure biogenic nucleation over the Himalayan valleys	10
Oxidation and de-alloying of PtMn particle models: a computational investigation	10
Dielectric-free electrowetting on graphene	10
Structure and dynamics of asymmetric membranes: general discussion	10
Nanopore-based measurement of the interaction of P450cam monooxygenase and putidaredoxin at the single-molecule level	10
Low temperature (Zn,Sn)O deposition for reducing interface open-circuit voltage deficit to achieve highly efficient Se-free Cu(In,Ga)S2 solar cells	10
Combined 7Li NMR, density functional theory and operando synchrotron X-ray powder diffraction to investigate a structural evolution of cathode material LiFeV2O7	10
Poster list	10
O2 reduction by iron porphyrins with electron withdrawing groups: to scale or not to scale	9
Characterization of buried interfaces using Ga Kα hard X-ray photoelectron spectroscopy (HAXPES)	9
Crystal nucleation in biominerals: general discussion	9
Electrochemically probing exciton transport in monolayers of two-dimensional semiconductors	9
The influence of higher order geometric terms on the asymmetry and dynamics of membranes	9
List of participants	9
Synthesis and characterization of stable nickel( ii ) complexes bearing long alkyl chains	9
Multicomponent supramolecular hydrogels composed of cationic phenylalanine derivatives and anionic amino acids	9
Towards controlling activity of a peptide asparaginyl ligase (PAL) by lumazine synthetase compartmentalization	9
Customising the plunge-freezing workflow for challenging conditions	9
Effect of depth of discharge (DOD) on cycling in situ formed Li anodes	9
Stabilisation of FeCoNiCuPt high-entropy alloy nanoparticles by surface capping	9
Large property models: a new generative machine-learning formulation for molecules	9
Barium hydride activates Ni for ammonia synthesis catalysis	9
Spiers Memorial Lecture: New horizons in nanoelectrochemistry	9
Poster list	9
Dual-selective polymerization: achieving chemoselectivity and stereoselectivity in a single catalytic system	9
Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins	9
List of participants	9
Sample preparation in single particle cryo-EM: general discussion	9
Contents list	9
Investigating the effect of fusion partners on the enzymatic activity and thermodynamic stability of poly(ethylene terephthalate) degrading enzymes	9
List of participants	9
Oyster larval biomineralisation – insights from electron backscatter diffraction	9
Streamers feeding the SVS13-A protobinary system: astrochemistry reveals accretion shocks?	9
Probing the influence of substrate binding on photocatalytic dehalogenation with a heteroleptic supramolecular [M4La2Lb2] square containing PDI p	9
Mapping inorganic crystal chemical space	9
The diverse chemistry of protoplanetary disks as revealed by JWST	9
Nano-confined electrochemical reaction studied by electrochemical surface forces apparatus	9
Contents list	9
Electrochemical nitrogen reduction reaction over gallium – a computational and experimental study	9
Impact of the terahertz and optical pump penetration depths on generated strain waves temporal profiles in a V2O3 thin film	8
Solvent-mediated isotope effects strongly influence the early stages of calcium carbonate formation: exploring D2O vs. H2O in a combined computational and experimental app	8
Imaging the orientation of hydroxyapatite crystallites across full mouse femora	8
Spiers Memorial Lecture: Next generation chalcogenide-based absorbers for thin-film solar cells	8
Self-sufficient metal–air battery systems enabled by solid-ion conductive interphases	8
Near-infrared responsive three-component supramolecular hydrogels of peptide, agarose and upconversion nanoparticles	8
Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method	8
Contents list	8
Stabilization of lithium metal in concentrated electrolytes: effects of electrode potential and solid electrolyte interphase formation	8
Effect of [Na+]/[Li+] concentration ratios in brines on lithium carbonate production through membrane electrolysis	8
Ten crucial unknowns in atmospheric chemistry in the cold	8
Spiers Memorial Lecture: Challenges and prospects in organic photonics and electronics	8
Possible embryos and precursors of crystalline nuclei of calcium carbonate observed by liquid-cell transmission electron microscopy	8
Uptake of ammonia by ice surfaces at atmospheric temperatures	8
Quench–drive spectroscopy of cuprates	8
Oxidation by ozone of linoleic acid monolayers at the air–water interface in multi-component films at 21 °C and 3 °C	8
Revealing the diverse electrochemistry of nanoparticles with scanning electrochemical cell microscopy	8
Improved computational modeling of the kinetics of the acetylperoxy + HO2 reaction	8
Ultrathin wide band gap kesterites	8
Statistical theory for the reaction N + OH → NO + H: thermal low-temperature rate constants	8
Reaction interferometry with ultracold molecules	8
A comprehensive characterisation of natural aerosol sources in the high Arctic during the onset of sea ice melt	8
Processing-driven chemical ordering and its effect on magnetic properties in a high entropy alloy	8
Optoelectronic conversion and polarization hysteresis in organic MISM and MISIM devices with DA-type single-component molecules	8
Operando detection and suppression of spurious singlet oxygen in Li–O2 batteries	8
Crossed molecular beam experiments and theoretical simulations on the multichannel reaction of toluene with atomic oxygen	8
Cleavage of an aromatic ring and radical migration	8
Preface	8
Concluding remarks: Atmospheric chemistry in cold environments	8
Disentangling physics and chemistry in AGB outflows: revealing degeneracies when adding complexity	8
Modeling attainment in Fairbanks, Alaska, for the wintertime PM2.5 24-hour non-attainment area using the CMAQ (community multi-scale air quality) model	7
Deep eutectic solvents on a tightrope: balancing the entropy and enthalpy of mixing	7
New directions in the analysis of buried interfaces for device technology by hard X-ray photoemission	7
Manipulation of amorphous precursors to enhance zeolite nucleation	7
Luminescence mechanism analysis of a TADF molecule showing peculiar thermal behavior	7
Elucidating the mechanical properties of asymmetric membranes by direct derivation of their energetics	7
Contents list	7
Multicomponent systems: general discussion	7
Off-stoichiometry in I–III–VI2 chalcopyrite absorbers: a comparative analysis of structures and stabilities	7
Strategies for compatibilisation of extracted lignin properties with commercial applications: general discussion	7
Syntheses and investigation of metal complexes with macrocyclic polythioether ligands	7
Silica biomineralization in plants alters the structure of lignin	7
Surfactant-like peptide gels are based on cross-β amyloid fibrils	7
Six-dimensional quantum dynamics of an Eley–Rideal reaction between gaseous and adsorbed hydrogen atoms on Cu(111)	7
Front cover	7
Computationally driven design of an artificial metalloenzyme using supramolecular anchoring strategies of iridium complexes to alcohol dehydrogenase	7
In situ methods: discoveries and challenges: general discussion	7
Morphology, dynamic disorder, and charge transport in an indoloindole-based hole-transporting material from a multi-level theoretical approach	7
Doped metal clusters as bimetallic AuCo nanocatalysts: insights into structural dynamics and correlation with catalytic activity byin situspectroscopy	7
The interplay between snow and polluted air masses in cold urban environments	7
Back cover	7