Faraday Discussions

Article	Citations
Atomic-scale structure of interfacial water on gel and liquid phase lipid membranes	48
Scanning electrochemical probe microscopy: general discussion	37
Fiber formation seen through the high-resolution computational microscope	36
The role of the gold–platinum interface in AuPt/TiO2-catalyzed plasmon-induced reduction of CO2 with water	30
Effect of ionic conductivity of electrolyte on printed planar and vertical organic electrochemical transistors	29
Unimolecular dissociation dynamics of electronically excited HCO(Ã2A′′): rotational control of nonadiabatic decay	26
Quantum resonances and roaming dynamics in formaldehyde photodissociation	24
Emerging electrochemical methods at the nanointerface: general discussion	23
The merit of pressure dependent kinetic modelling in steam cracking	23
Preface	21
Small molecule activation and synthetic analogues: general discussion	21
Chemical and electronic structure of the heavily intermixed (Cd,Zn)S:Ga/CuSbS2 interface	21
Poster list	19
The mechanochemical excitation of crystalline LiN3	19
Disproportional surface segregation in ligand-free gold–silver alloy solid solution nanoparticles, and its implication for catalysis and biomedicine	18
Heterogeneous catalytic and chemical looping routes to N2 activation: general discussion	17
Theoretical aspects of the growth of a non-Kossel crystal from vapours: the role of advacancies	17
Surface photovoltage dynamics at passivated silicon surfaces: influence of substrate doping and surface termination	17
Bulk and surface characterisation techniques of solar absorbers: general discussion	16
Electrochemical nitrogen reduction reaction over gallium – a computational and experimental study	15
Front cover	15
Contents list	15
Back cover	15
Nanoalloy structures and catalysis part 2: general discussion	15
Poster list	15

In search of the bottlenecks of ammonia synthesis over Ru/Vulcan under ambient conditions	14
Catalytic templated length-controlled oligomerization	14
Atomic-scale structures and dynamics at the growing calcite step edge investigated by high-speed frequency modulation atomic force microscopy	13
Image processing tools for the validation of CryoEM maps	13
Comprehensive rear surface passivation of superstrate Sb2Se3 solar cells via post-deposition selenium annealing treatments and the application of an electron blocking laye	13
Water molecules mute the dependence of the double-layer potential profile on ionic strength	13
Astrochemistry at high resolution: preface	13
Out-of-equilibrium dynamics driven by photoinduced charge transfer in CsCoFe Prussian blue analogue nanocrystals	13
Isoprene selective hydrogenation using AgCu-promoted Pd nanoalloys	13
Back cover	13
Spiers Memorial Lecture: prospects for photoelectron spectroscopy	12
Impact of metastable defect structures on carrier recombination in solar cells	12
Structural modifications to platinum(ii) pincer complexes resulting in changes in their vapochromic and solvatochromic properties	12
Collective modes and quantum effects in two-dimensional nanofluidic channels	12
Master equation study of hydrogen abstraction from HCHO by OH via a chemically activated intermediate	12
Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins	12
Logic gating of low-abundance molecules using polyelectrolyte-based diodes	12
Overcoming passivation through improved mass transport in dense ionic fluids	11
Overdetermination method for accurate dynamic ion correlations in highly concentrated electrolytes	11
Energy-resolved and time-dependent unimolecular dissociation of hydroperoxyalkyl radicals (˙QOOH)	11
Understanding the impact of ammonium ion substitutions on heterogeneous ice nucleation	11
Concluding remarks: Dense ionic fluids: because sometimes, more is more	11
Stability and structure of the aqueous LiTFSI–LiCl interface	11
The impact of AlphaFold2 on experimental structure solution	11
Electric field induced associations in the double layer of salt-in-ionic-liquid electrolytes	11
Chain-length dependent organisation in mixtures of hydrogenous and fluorous ionic liquids	11
Unravelling the complex speciation of halozincate ionic liquids using X-ray spectroscopies and calculations	11
Ion adsorption and hydration forces: a comparison of crystalline mica vs. amorphous silica surfaces	10
Melting properties of AgxPt1−x nanoparticles	10
Concluding remarks: discussion on natural and artificial enzymes including synthetic models	10
Advancing electrocatalytic nitrogen fixation: insights from molecular systems	10
Interplay of structural and dynamical heterogeneity in the nucleation mechanism in nickel	10
Chemical conditions on Hycean worlds	10
Optical excitation processes: general discussion	9
Electrochemical characterization of individual oil micro-droplets by high-frequency nanocapacitor array imaging	9
Back cover	9
Electrocatalytic and photocatalytic routes to N2 activation: general discussion	9
Amplified spontaneous emission from a liquid crystalline phase: anisotropic property and active modulation	9
AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization	9
Influence of anisotropy on heterogeneous nucleation of gold nanorod assemblies	9
Transformations in crystals of DNA-functionalized nanoparticles by electrolytes	9
Front cover	9
Boosting the activity of Mizoroki–Heck cross-coupling reactions with a supramolecular palladium catalyst favouring remote Zn⋯pyridine interactions	9
Low temperature ammonia synthesis by surface protonics over metal supported catalysts	9
Homogeneous N2 activation: general discussion	9
Contents list	9
Materials for stable metal–oxygen battery cathodes: general discussion	8
Ionic conductivity and disorder in calcium and barium nitrogen hydrogen phases	8
O2 reduction by iron porphyrins with electron withdrawing groups: to scale or not to scale	8
Ice interfaces: general discussion	8

Back cover	8
Electrochemical synthesis of the protected cyclic (1,3;1,6)-β-glucan dodecasaccharide	8
Concluding remarks: Fundamentals, applications and future of mechanochemistry	8
Electrofuels: general discussion	8
Spiers Memorial Lecture: Shielding the active site: a streptavidin superoxide-dismutase chimera as a host protein for asymmetric transfer hydrogenation	8
Preface	8
GeSe photovoltaics: doping, interfacial layer and devices	7
Reconstruction and validation of entire virus model with complete genome from mixed resolution cryo-EM density	7
Learning lessons from nature – the future of biomimetics: general discussion	7
Barium hydride activates Ni for ammonia synthesis catalysis	7
Spiers Memorial Lecture: Water at interfaces	7
Investigating the effect of fusion partners on the enzymatic activity and thermodynamic stability of poly(ethylene terephthalate) degrading enzymes	7
Experimental radiative cooling rates of a polycyclic aromatic hydrocarbon cation	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
Poster list	7
Nano-confined electrochemical reaction studied by electrochemical surface forces apparatus	7
Contents list	7
Concluding remarks: next generation nanoelectrochemistry – next generation nanoelectrochemists	7
Surveying the scope of aromatic decarboxylations catalyzed by prenylated-flavin dependent enzymes	7
Controlling polymorphism: general discussion	7
List of participants	7
Poster list	7
Electroorganic synthesis in aqueous solution via generation of strongly oxidizing and reducing intermediates	7
Retuning the potential of the electrochemical leaf	7
Magnetic field-enhanced redox chemistry on-the-fly for enantioselective synthesis	6
Electrified/charged aqueous interfaces: general discussion	6
Diffractive mirrors for neutral-atom matter-wave optics	6
Multiphase sulfur chemistry facilitates particle growth in a cold and dark urban environment	6
What can quantum information theory offer to quantum chemistry?	6
The chemical inventory of the inner regions of planet-forming disks – the JWST/MINDS program	6
Dihydrolevoglucosenone (Cyrene™), a new possibility of an environmentally compatible solvent in synthetic organic electrochemistry	6
Tiled unitary product states for strongly correlated Hamiltonians	6
Correlation in extended systems: general discussion	6
Primary vs. secondary alkylpyridinium salts: a comparison under electrochemical and chemical reduction conditions	6
Switching on/off molybdenum nitride catalytic activity in ammonia synthesis through modulating metal–support interaction	6
Isomeric and rotational effects in the chemi-ionisation of 1,2-dibromoethene with metastable neon atoms	6
Temperature dependent stereodynamics in surface scattering measured through subtle changes in the molecular wave function	6
Characterization of buried interfaces using Ga Kα hard X-ray photoelectron spectroscopy (HAXPES)	6
Streamers feeding the SVS13-A protobinary system: astrochemistry reveals accretion shocks?	6
Accurate extrinsic and intrinsic peak broadening modelling for time-resolved in situ ball milling reactions via synchrotron powder X-ray diffraction	6
Correction: Challenges with relativistic GW calculations in solids and molecules	6
Polyaniline nanowire arrays generated through oriented mesoporous silica films: effect of pore size and spectroelectrochemical response	6
Probing the influence of substrate binding on photocatalytic dehalogenation with a heteroleptic supramolecular [M4La2Lb2] square containing PDI p	6
Inclusion of multiple cycling of potential in the deep neural network classification of voltammetric reaction mechanisms	6
Metal-loaded zeolites in ammonia decomposition catalysis	6
The origin of overpotential in lithium-mediated nitrogen reduction	6
CO adsorption on Pt(111) studied by periodic coupled cluster theory	6
The diverse chemistry of protoplanetary disks as revealed by JWST	6
Accurate and interpretable representation of correlated electronic structure via Tensor Product Selected CI	6
Reaction dynamics of S(3P) with 1,3-butadiene and isoprene: crossed-beam scattering, low-temperature flow experiments, and high-level electronic structure calculations	6
List of participants	6
Advanced algorithm for step detection in single-entity electrochemistry: a comparative study of wavelet transforms and convolutional neural networks	5
Accurate and reliable thermochemistry by data analysis of complex thermochemical networks using Active Thermochemical Tables: the case of glycine thermochemistry	5
Effect of depth of discharge (DOD) on cycling in situ formed Li anodes	5
Mapping inorganic crystal chemical space	5
Probing assembly/disassembly of ordered molecular hydrogels	5
The EFG Rosetta Stone: translating between DFT calculations and solid state NMR experiments	5
Challenges and opportunities for NMR calculations: general discussion	5
The interplay of composition and mechanics in the thermodynamics of asymmetric ternary lipid membranes	5
Poster list	5
Back cover	5
Vibrational energy transfer in ammonia–helium collisions	5
List of participants	5
Multimodal nanoparticle analysis enabled by a polymer electrolyte nanopore combined with nanoimpact electrochemistry	5
Large property models: a new generative machine-learning formulation for molecules	5
Visualizing optically-induced strains by five-dimensional ultrafast electron microscopy	5
Making the InChI FAIR and sustainable while moving to inorganics	5
Electrochemically probing exciton transport in monolayers of two-dimensional semiconductors	5
Reaction interferometry with ultracold molecules	5
The interplay of density functional selection and crystal structure for accurate NMR chemical shift predictions	5
High-throughput calculations and machine learning modeling of 17O NMR in non-magnetic oxides	5
Combined 7Li NMR, density functional theory and operando synchrotron X-ray powder diffraction to investigate a structural evolution of cathode material LiFeV2O7	5
Ion concentration polarization causes a nearly pore-length-independent conductance of nanopores	5
Photoelectron spectra of water and simple aqueous solutions at extreme conditions	5
Optoelectronic conversion and polarization hysteresis in organic MISM and MISIM devices with DA-type single-component molecules	5
Exploring the chemical dynamics of phenanthrene (C14H10) formation via the bimolecular gas-phase reaction of the phenylethynyl radical (C6H5CC) with	5
Spiers Memorial Lecture: Catalytic activation of molecular nitrogen for green ammonia synthesis: introduction and current status	5
High-resolution rovibrational and rotational spectroscopy of the singly deuterated cyclopropenyl cation, c-C3H2D+	5
Spiers Memorial Lecture: New horizons in nanoelectrochemistry	5
Modelling ligand exchange in metal complexes with machine learning potentials	5

Towards sub-millisecond cryo-EM grid preparation	5
A critical reflection on attempts to machine-learn materials synthesis insights from text-mined literature recipes	5
Characterization of ephedrine HCl and pseudoephedrine HCl using quadrupolar NMR crystallography guided crystal structure prediction	5
Generating models that describe complex disorder: general discussion	5
Front cover	5
Biocatalysis for industry, medicine and the circular economy: general discussion	5
Discovery of highly anisotropic dielectric crystals with equivariant graph neural networks	5
Front cover	5
Computational astrochemistry: general discussion	5
Inelastic scattering of NO(A2Σ+) + CO2: rotation–rotation pair-correlated differential cross sections	5
Nanoscale visualization of the anti-tumor effect of a plasma-activated Ringer's lactate solution	5
Growth rate dependence of the permeability and percolation threshold of young sea ice	5
Poster list	4
Multicomponent Supramolecular Hydrogels Composed of Cationic Phenylalanine Derivatives and Anionic Amino Acids	4
List of participants	4
Disentangling physics and chemistry in AGB outflows: revealing degeneracies when adding complexity	4
Examining the accuracy of methods for obtaining pressure dependent rate coefficients	4
Computational study of the mechanism of a polyurethane esterase A (PueA) from Pseudomonas chlororaphis	4
Improved microcanonical instanton theory	4
Revealing the diverse electrochemistry of nanoparticles with scanning electrochemical cell microscopy	4
Enzymatic X-ray absorption spectroelectrochemistry	4
Evolution of the electrical double layer with electrolyte concentration probed by second harmonic scattering	4
Correction: Interplay between interdiffusion and shape transformations in nanoalloys evolving from core–shell to intermixed structures	4
Front cover	4
Photomechanochemical control over stereoselectivity in the [2 + 2] photodimerization of acenaphthylene	4
The unimolecular decomposition of dimethoxymethane: channel switching as a function of temperature and pressure	4
Contents list	4
Ultrathin wide band gap kesterites	4
Effect of liquid confinement on regioselectivity in the hydrosilylation of alkynes with cationic Rh(i) N-heterocyclic carbene catalysts	4
Solvent-mediated isotope effects strongly influence the early stages of calcium carbonate formation: exploring D2O vs. H2O in a combined computational and experimental app	4
Electron scattering properties of biological macromolecules and their use for cryo-EM map sharpening	4
Electrochemiluminescence microscopy for the investigation of peptide interactions within planar lipid membranes	4
N2 solar activation: ammonia as a hydrogen vector for energy storage	4
Molecular sandwich-based DNAzyme catalytic reaction towards transducing efficient nanopore electrical detection of antigen proteins	4
On the mechanism of intermolecular nitrogen-atom transfer from a lattice-isolated diruthenium nitride intermediate	4
List of participants	4
Uptake of Ammonia by Ice Surfaces at Atmospheric Temperatures	4
Enzyme-modified Pt nanoelectrodes for glutamate detection	4
Sample preparation in single particle cryo-EM: general discussion	4
Contents list	4
Customising the plunge-freezing workflow for challenging conditions	4
Kinetics of CN (v = 1) reactions with butadiene isomers at low temperature by cw-cavity ring-down in a pulsed Laval flow with theoretical modelling of rates and entrance channel branching	4
Possible embryos and precursors of crystalline nuclei of calcium carbonate observed by liquid-cell transmission electron microscopy	4
Integrated scanning electrochemical cell microscopy platform with local electrochemical impedance spectroscopy using a preamplifier	4
Structural correlations of nitrogenase active sites using nuclear resonance vibrational spectroscopy and QM/MM calculations	4
Scanning electrochemical probe microscopy: towards the characterization of micro- and nanostructured photocatalytic materials	4
Piezoelectric harvesting of mechanical energy for redox chemistry	4
Poster list	4
New interstellar laboratories in the molecular ring	3
Convergence of dissolving and melting at the nanoscale	3
Materials for electrosynthesis: general discussion	3
Contents list	3
Organic NMR crystallography: enabling progress for applications to pharmaceuticals and plant cell walls	3
Protein-induced membrane asymmetry modulates OMP folding kinetics and stability	3
The master equation: general discussion	3
Self-sufficient metal–air battery systems enabled by solid-ion conductive interphases	3
List of participants	3
Hybrid scanning electrochemical cell microscopy-interference reflection microscopy (SECCM-IRM): tracking phase formation on surfaces in small volumes	3
Structural and optical characterization of nanoalloys mixing gold or silver with aluminium or indium: evolution under various reactive environments	3
Discovering chemical structure: general discussion	3
Operando detection and suppression of spurious singlet oxygen in Li–O2 batteries	3
Spiers Memorial Lecture: Challenges and prospects in organic photonics and electronics	3
Solvent-dependent iodide interactions in LiO2 electrolytes – a molecular dynamics study	3
Back cover	3
Front cover	3
Noncovalent bonding assessment by pair distribution function	3
Embedding human knowledge in material screening pipeline as filters to identify novel synthesizable inorganic materials	3
Petahertz charge dynamics in a correlated organic superconductor	3
Concluding remarks: Challenges and future developments in biological electron cryo-microscopy	3
Atomic-level structure of the amorphous drug atuliflapon via NMR crystallography	3
Crystal structure validation of verinurad via proton-detected ultra-fast MAS NMR and machine learning	3
Natural and artificial enzymes and medicinal aspects: general discussion	3
How do water-mediated interactions and osmotic second virial coefficients vary with particle size?	3
Novel chalcogenides, pnictides and defect-tolerant semiconductors: general discussion	3
List of participants	3
Materials design and bonding: general discussion	3
First-principles NMR of oxide glasses boosted by machine learning	3
Front cover	3
Back cover	3
Contents list	3
Knowledge distillation of neural network potential for molecular crystals	3
Ultrafast electronic, infrared, and X-ray absorption spectroscopy study of Cu(i) phosphine diimine complexes	3
Superlattice ordering transitions driven by short-range structure in barium calcium carbonates	3
A facile coprecipitation approach for synthesizing LaNi0.5Co0.5O3 as the cathode for a molten-salt lithium–oxygen battery	3
NMR crystallization: in situ NMR strategies for monitoring the evolution of crystallization processes	3
Impact of Lindemann and related theories: general discussion	3
Resonant X-ray photoelectron spectroscopy: identification of atomic contributions to valence states	3
Oxidative dehalogenation of halophenols by high-valent nonheme iron(iv)-oxo intermediates	3
Can you break the oxo-wall? A multiconfigurational perspective	3
On the mechanical response in nanoalloys: the case of NiCo	3
Poster list	3
Are we fitting data or noise? Analysing the predictive power of commonly used datasets in drug-, materials-, and molecular-discovery	3
Discovering synthesis targets: general discussion	3
Ionotronics for reverse actuation	3
Concluding remarks: Harnessing non-covalent interactions for synthesis and catalysis	3