Faraday Discussions

Article	Citations
Fiber formation seen through the high-resolution computational microscope	55
Growth rate dependence of the permeability and percolation threshold of young sea ice	52
Co-assembled supramolecular hydrogels: Nano-IR sheds light on tripeptide assemblies	43
Three-Dimensional Imaging of Vasculature and Forming Quail Femur using Cryo-Correlative Light and Electron Microscopy (cryo-CLEM)	40
Probing the influence of substrate binding on photocatalytic dehalogenation with a heteroleptic supramolecular [M4La2Lb2] square containing PDI p	36
GeSe photovoltaics: doping, interfacial layer and devices	34
The influence of higher order geometric terms on the asymmetry and dynamics of membranes	31
Poster list	29
Poster list	28
Contents list	26
Back cover	25
Back cover	24
Front cover	24
Atomic-scale structure of interfacial water on gel and liquid phase lipid membranes	23
The EFG Rosetta Stone: translating between DFT calculations and solid state NMR experiments	22
Nano-confined electrochemical reaction studied by electrochemical surface forces apparatus	21
Contents list	21
Back cover	20
Silylated peptides as building blocks for material synthesis using sol-gel polymerization	20
Poster list	20
Poster list	20
The interplay of composition and mechanics in the thermodynamics of asymmetric ternary lipid membranes	20
Contents list	19
Front cover	19
Poster list	18

Back cover	18
List of participants	18
Scanning electrochemical probe microscopy: general discussion	18
Preface	18
Front cover	17
Towards sub-millisecond cryo-EM grid preparation	17
Retuning the potential of the electrochemical leaf	17
Impact of metastable defect structures on carrier recombination in solar cells	17
Electrofuels: general discussion	16
Primary vs. secondary alkylpyridinium salts: a comparison under electrochemical and chemical reduction conditions	16
Electrocatalytic and photocatalytic routes to N2 activation: general discussion	16
Astrochemistry at high resolution: preface	16
Isomeric and rotational effects in the chemi-ionisation of 1,2-dibromoethene with metastable neon atoms	15
Spiers Memorial Lecture: Water at interfaces	15
Amplified spontaneous emission from a liquid crystalline phase: anisotropic property and active modulation	15
Reaction dynamics of S(3P) with 1,3-butadiene and isoprene: crossed-beam scattering, low-temperature flow experiments, and high-level electronic structure calculations	15
Ice interfaces: general discussion	15
Materials for stable metal–oxygen battery cathodes: general discussion	15
Overdetermination method for accurate dynamic ion correlations in highly concentrated electrolytes	15
Temperature dependent stereodynamics in surface scattering measured through subtle changes in the molecular wave function	15
Diffractive mirrors for neutral-atom matter-wave optics	14
What can quantum information theory offer to quantum chemistry?	13
Surveying the scope of aromatic decarboxylations catalyzed by prenylated-flavin dependent enzymes	13
Stability and structure of the aqueous LiTFSI–LiCl interface	13
Accurate and interpretable representation of correlated electronic structure via Tensor Product Selected CI	13
Electric field induced associations in the double layer of salt-in-ionic-liquid electrolytes	13
Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations	13
The interplay of density functional selection and crystal structure for accurate NMR chemical shift predictions	13
High-throughput calculations and machine learning modeling of 17O NMR in non-magnetic oxides	12
Combined 7Li NMR, density functional theory and operando synchrotron X-ray powder diffraction to investigate a structural evolution of cathode material LiFeV2O7	12
CO adsorption on Pt(111) studied by periodic coupled cluster theory	12
Nanoscale visualization of the anti-tumor effect of a plasma-activated Ringer's lactate solution	12
Multimodal nanoparticle analysis enabled by a polymer electrolyte nanopore combined with nanoimpact electrochemistry	12
Investigating the effect of fusion partners on the enzymatic activity and thermodynamic stability of poly(ethylene terephthalate) degrading enzymes	12
Characterization of ephedrine HCl and pseudoephedrine HCl using quadrupolar NMR crystallography guided crystal structure prediction	12
Chain-length dependent organisation in mixtures of hydrogenous and fluorous ionic liquids	12
Probing assembly/disassembly of ordered molecular hydrogels	12
Discovery of highly anisotropic dielectric crystals with equivariant graph neural networks	12
Advanced algorithm for step detection in single-entity electrochemistry: a comparative study of wavelet transforms and convolutional neural networks	12
Biocatalysis for industry, medicine and the circular economy: general discussion	11
Tiled unitary product states for strongly correlated Hamiltonians	11
Generating models that describe complex disorder: general discussion	11
Large property models: a new generative machine-learning formulation for molecules	11
Making the InChI FAIR and sustainable while moving to inorganics	11
Correlation in extended systems: general discussion	11
Spiers Memorial Lecture: New horizons in nanoelectrochemistry	11
Accurate and reliable thermochemistry by data analysis of complex thermochemical networks using Active Thermochemical Tables: the case of glycine thermochemistry	11
Concluding remarks: Dense ionic fluids: because sometimes, more is more	11
Image processing tools for the validation of CryoEM maps	10
The origin of overpotential in lithium-mediated nitrogen reduction	10

Melting properties of AgxPt1−x nanoparticles	10
Learning lessons from nature – the future of biomimetics: general discussion	10
Reconstruction and validation of entire virus model with complete genome from mixed resolution cryo-EM density	10
Visualizing optically-induced strains by five-dimensional ultrafast electron microscopy	10
The role of the gold–platinum interface in AuPt/TiO2-catalyzed plasmon-induced reduction of CO2 with water	10
Controlling polymorphism: general discussion	10
The mechanochemical excitation of crystalline LiN3	10
Characterization of buried interfaces using Ga Kα hard X-ray photoelectron spectroscopy (HAXPES)	10
Accurate extrinsic and intrinsic peak broadening modelling for time-resolved in situ ball milling reactions via synchrotron powder X-ray diffraction	10
Challenges and opportunities for NMR calculations: general discussion	10
AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization	10
Disproportional surface segregation in ligand-free gold–silver alloy solid solution nanoparticles, and its implication for catalysis and biomedicine	10
Optical excitation processes: general discussion	10
Isoprene selective hydrogenation using AgCu-promoted Pd nanoalloys	10
Barium hydride activates Ni for ammonia synthesis catalysis	10
Concluding remarks: discussion on natural and artificial enzymes including synthetic models	10
Chemical and electronic structure of the heavily intermixed (Cd,Zn)S:Ga/CuSbS2 interface	10
Catalytic templated length-controlled oligomerization	9
Nanoalloy structures and catalysis part 2: general discussion	9
Experimental radiative cooling rates of a polycyclic aromatic hydrocarbon cation	9
Metal-loaded zeolites in ammonia decomposition catalysis	9
Electroorganic synthesis in aqueous solution via generation of strongly oxidizing and reducing intermediates	9
Homogeneous N2 activation: general discussion	9
Low temperature ammonia synthesis by surface protonics over metal supported catalysts	9
In search of the bottlenecks of ammonia synthesis over Ru/Vulcan under ambient conditions	9
Magnetic field-enhanced redox chemistry on-the-fly for enantioselective synthesis	9
Boosting the activity of Mizoroki–Heck cross-coupling reactions with a supramolecular palladium catalyst favouring remote Zn⋯pyridine interactions	9
Spiers Memorial Lecture: Catalytic activation of molecular nitrogen for green ammonia synthesis: introduction and current status	9
Heterogeneous catalytic and chemical looping routes to N2 activation: general discussion	9
Concluding remarks: Fundamentals, applications and future of mechanochemistry	9
Electrochemical nitrogen reduction reaction over gallium – a computational and experimental study	9
Switching on/off molybdenum nitride catalytic activity in ammonia synthesis through modulating metal–support interaction	9
Effect of depth of discharge (DOD) on cycling in situ formed Li anodes	9
Transformations in crystals of DNA-functionalized nanoparticles by electrolytes	9
Ionic conductivity and disorder in calcium and barium nitrogen hydrogen phases	8
Comprehensive rear surface passivation of superstrate Sb2Se3 solar cells via post-deposition selenium annealing treatments and the application of an electron blocking laye	8
Theoretical aspects of the growth of a non-Kossel crystal from vapours: the role of advacancies	8
Master equation study of hydrogen abstraction from HCHO by OH via a chemically activated intermediate	8
Logic gating of low-abundance molecules using polyelectrolyte-based diodes	8
Atomic-scale structures and dynamics at the growing calcite step edge investigated by high-speed frequency modulation atomic force microscopy	8
Surface photovoltage dynamics at passivated silicon surfaces: influence of substrate doping and surface termination	8
Inclusion of multiple cycling of potential in the deep neural network classification of voltammetric reaction mechanisms	8
Electrochemically probing exciton transport in monolayers of two-dimensional semiconductors	8
Quantum resonances and roaming dynamics in formaldehyde photodissociation	8
Energy-resolved and time-dependent unimolecular dissociation of hydroperoxyalkyl radicals (˙QOOH)	8
Correction: Challenges with relativistic GW calculations in solids and molecules	7
Multiphase sulfur chemistry facilitates particle growth in a cold and dark urban environment	7
Unimolecular dissociation dynamics of electronically excited HCO(Ã2A′′): rotational control of nonadiabatic decay	7
An experimental and computational study of the reaction between pent-3-en-2-yl radicals and oxygen molecules: switching from pure stabilisation to pure decomposition with increasing temperature	7
Structural modifications to platinum(ii) pincer complexes resulting in changes in their vapochromic and solvatochromic properties	7
Contents list	7
Detection Limits of Calcium by EELS TEM-EDX and X-ray Absorption Spectroscopy for Biomineralization Studies	7
Streamers feeding the SVS13-A protobinary system: astrochemistry reveals accretion shocks?	7
Small molecule activation and synthetic analogues: general discussion	7
Emerging electrochemical methods at the nanointerface: general discussion	7
Bulk and surface characterisation techniques of solar absorbers: general discussion	7
Electrified/charged aqueous interfaces: general discussion	7
List of participants	7
Polyaniline nanowire arrays generated through oriented mesoporous silica films: effect of pore size and spectroelectrochemical response	7
Influence of anisotropy on heterogeneous nucleation of gold nanorod assemblies	7
Preface	7
Interplay of structural and dynamical heterogeneity in the nucleation mechanism in nickel	7
Poster list	7
Out-of-equilibrium dynamics driven by photoinduced charge transfer in CsCoFe Prussian blue analogue nanocrystals	6
Correction: Interplay between interdiffusion and shape transformations in nanoalloys evolving from core–shell to intermixed structures	6
Photoelectron spectra of water and simple aqueous solutions at extreme conditions	6
Back cover	6
Improved microcanonical instanton theory	6
Water molecules mute the dependence of the double-layer potential profile on ionic strength	6
Spiers Memorial Lecture: Shielding the active site: a streptavidin superoxide-dismutase chimera as a host protein for asymmetric transfer hydrogenation	6
Spiers Memorial Lecture: prospects for photoelectron spectroscopy	6
The merit of pressure dependent kinetic modelling in steam cracking	6
Collective modes and quantum effects in two-dimensional nanofluidic channels	6
The impact of AlphaFold2 on experimental structure solution	6
Modelling ligand exchange in metal complexes with machine learning potentials	6
A critical reflection on attempts to machine-learn materials synthesis insights from text-mined literature recipes	6
Ion adsorption and hydration forces: a comparison of crystalline mica vs. amorphous silica surfaces	6
List of participants	6
Front cover	6
Front cover	6

The chemical inventory of the inner regions of planet-forming disks – the JWST/MINDS program	6
Biomineral displays systematic spatially varying crystallographic properties in fibrolamellar bone as revealed by position resolved X-ray diffraction	6
Electrochemical characterization of individual oil micro-droplets by high-frequency nanocapacitor array imaging	6
Chemical conditions on Hycean worlds	6
O2 reduction by iron porphyrins with electron withdrawing groups: to scale or not to scale	6
Electrochemical synthesis of the protected cyclic (1,3;1,6)-β-glucan dodecasaccharide	6
Effect of ionic conductivity of electrolyte on printed planar and vertical organic electrochemical transistors	6
Understanding the impact of ammonium ion substitutions on heterogeneous ice nucleation	6
Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins	6
Synthesis and Ring-Opening (co)Polymerization of Lactones Derived from the Cotelomerization of Isoprene, Butadiene, and CO2	6
Poster list	6
List of participants	6
Uptake of ammonia by ice surfaces at atmospheric temperatures	6
Overcoming passivation through improved mass transport in dense ionic fluids	6
Advancing electrocatalytic nitrogen fixation: insights from molecular systems	6
Dihydrolevoglucosenone (Cyrene™), a new possibility of an environmentally compatible solvent in synthetic organic electrochemistry	6
Bone mineralization and the effects of elevated osteopontin: From symmetry-breaking foci to 3D space-filling tessellation	6
The diverse chemistry of protoplanetary disks as revealed by JWST	6
Mapping inorganic crystal chemical space	6
Concluding remarks: next generation nanoelectrochemistry – next generation nanoelectrochemists	6
Ion concentration polarization causes a nearly pore-length-independent conductance of nanopores	6
Contents list	5
Cryo-EM for atomic characterization of supramolecular gels	5
Concluding remarks: Challenges and future developments in biological electron cryo-microscopy	5
Back cover	5
Degradation of PET microplastic particles to monomers in human serum by PETase	5
Contents list	5
Fabrication and characterization of phosphoinositide containing asymmetric vesicles in physiological salt conditions	5
Contents list	5
Terrestrial and marine sources of ice nucleating particles in the Eurasian Arctic	5
Front cover	5
Front cover	5
Poster list	5
Possible embryos and precursors of crystalline nuclei of calcium carbonate observed by liquid-cell transmission electron microscopy	5
Influence of peptides chirality on their protein-triggered supramolecular hydrogelation	5
Effect of [Na+]/[Li+] concentration ratios in brines on lithium carbonate production through membrane electrolysis	5
Poster list	5
Speciation of the proton in water-in-salt electrolytes	5
Intermediate-spin iron(iv)-oxido species with record reactivity	5
Back cover	5
List of participants	5
Near-infrared responsive three-component supramolecular hydrogels of peptide, agarose and upconversion nanoparticles	5
Contents list	5
Front cover	5
List of participants	5
Transport of continental particulate over the Labrador Sea and entrainment are important pathways for glaciation of remote marine clouds	5
Protein-induced membrane asymmetry modulates OMP folding kinetics and stability	5
Enzyme-modified Pt nanoelectrodes for glutamate detection	5
Seeing the invisible: XRF reveals lead distributions in coral organisms grown in the Red Sea (Gulf of Aqaba)	5
Hybrid scanning electrochemical cell microscopy-interference reflection microscopy (SECCM-IRM): tracking phase formation on surfaces in small volumes	5
List of participants	5
A perspective on the future of quantum chemical software: the example of the ORCA program package	5
Contents list	5
Front cover	5
List of participants	5
Immune cell activation produces locally scrambled foci of plasma membrane lipids	5
A comprehensive characterisation of natural aerosol sources in the high Arctic during the onset of sea ice melt	5
Back cover	5
Concluding remarks: Harnessing non-covalent interactions for synthesis and catalysis	5
Exploring the sensitivities of experimental techniques to various types of membrane asymmetry using atomistic simulations	5
Multicomponent Supramolecular Hydrogels Composed of Cationic Phenylalanine Derivatives and Anionic Amino Acids	5
List of participants	5
Inelastic scattering of NO(A2Σ+) + CO2: rotation–rotation pair-correlated differential cross sections	4
Are we fitting data or noise? Analysing the predictive power of commonly used datasets in drug-, materials-, and molecular-discovery	4
Convergence of dissolving and melting at the nanoscale	4
Sample preparation in single particle cryo-EM: general discussion	4
A mechanochemical approach to the synthesis of sydnones and derivatives	4
A facile coprecipitation approach for synthesizing LaNi0.5Co0.5O3 as the cathode for a molten-salt lithium–oxygen battery	4
Computational astrochemistry: general discussion	4
NMR crystallization: in situ NMR strategies for monitoring the evolution of crystallization processes	4
Fast and accurate nonadiabatic molecular dynamics enabled through variational interpolation of correlated electron wavefunctions	4
Computational study of the mechanism of a polyurethane esterase A (PueA) from Pseudomonas chlororaphis	4
Revealing the diverse electrochemistry of nanoparticles with scanning electrochemical cell microscopy	4
Cumulant Green's function methods for molecules	4
Towards controlling activity of a peptide asparaginyl ligase (PAL) by lumazine synthetase compartmentalization	4
K–O2 electrochemistry at the Au/DMSO interface probed by in situ spectroscopy and theoretical calculations	4
Discovering synthesis targets: general discussion	4
Unveiling the capabilities of bipolar conical channels in neuromorphic iontronics	4
Crossed molecular beam experiments and theoretical simulations on the multichannel reaction of toluene with atomic oxygen	4
First-principles NMR of oxide glasses boosted by machine learning	4
Gaussian processes for finite size extrapolation of many-body simulations	4
Organic NMR crystallography: enabling progress for applications to pharmaceuticals and plant cell walls	4
Integrated scanning electrochemical cell microscopy platform with local electrochemical impedance spectroscopy using a preamplifier	4
Exploring the chemical dynamics of phenanthrene (C14H10) formation via the bimolecular gas-phase reaction of the phenylethynyl radical (C6H5CC) with	4
Cationic micelles in deep eutectic solvents: effects of solvent composition	4
Reaction interferometry with ultracold molecules	4
Disentangling physics and chemistry in AGB outflows: revealing degeneracies when adding complexity	4
Harnessing conformational dynamics in enzyme catalysis to achieve nature-like catalytic efficiencies: the shortest path map tool for computational enzyme redesign	4
Materials for electrosynthesis: general discussion	4
Molecular sandwich-based DNAzyme catalytic reaction towards transducing efficient nanopore electrical detection of antigen proteins	4
Atomic-level structure of the amorphous drug atuliflapon via NMR crystallography	4
Rapidly convergent quantum Monte Carlo using a Chebyshev projector	4
Bimolecular collision outcomes on multidimensional potential energy surfaces: infrared spectroscopy and activation of NO–alkane collision complexes	4
Spiers Memorial Lecture: Challenges and prospects in organic photonics and electronics	4
Stabilization of lithium metal in concentrated electrolytes: effects of electrode potential and solid electrolyte interphase formation	4