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Speciation of the proton in water-in-salt electrolytes Faraday Discuss. (IF 3.4) Pub Date : 2024-03-15 Kateryna Goloviznina, Alessandra Serva, Mathieu Salanne
Water-in-salt (WiS) electrolytes are promising systems for a variety of energy storage devices. Indeed, they represent a great alternative to conventional organic electrolytes thanks to their environmental friendliness, non-flammability, and good electrochemical stability. Understanding the behaviour of such systems and their local organisation is a key direction for their rational design and successful
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Overdetermination Method for Accurate Dynamic Ion Correlations in Highly Concentrated Electrolytes Faraday Discuss. (IF 3.4) Pub Date : 2024-03-14 Bernhard Roling, Tabita Pothmann, Maleen Middendorf, Monika Schönhoff, Christian Gerken, Pinchas Nürnberg
Highly concentrated battery electrolytes exhibit a low flammability as well as a high thermal and electrochemical stability, and they typically form stable solid electrolyte interphases in contact to electrode materials. The transport properties of these electrolytes in batteries are strongly influenced by correlated movements of the ions. In the case of a binary electrolyte, the transport properties
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Observation of cavitation dynamics in viscous deep eutectic solvents during power ultrasound sonication Faraday Discuss. (IF 3.4) Pub Date : 2024-03-14 Ben Jacobson, Shida Li, Paul Daly, Christopher E Elgar, Andrew Feeney, Paul Prentice, Andrew P Abbott
Deep Eutectic Solvents (DESs) are a class of ionic liquid with emerging applications in ionometallurgy. The characteristic high viscosity of DESs, however, limit mass transport and result in slow dissolution kinetics. Through targeted application of high-power ultrasound, ionometallurgical processing time can be significantly accelerated. This acceleration is primarily mediated by the cavitation generated
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Overcoming passivation through improved mass transport in dense ionic fluids Faraday Discuss. (IF 3.4) Pub Date : 2024-03-13 Evangelia Daskalopoulou, Philip Hunt, Christopher E Elgar, Minjun Yang, Andrew P Abbott, Jennifer Hartley
Deep Eutectic Solvents (DESs) have recently been shown to be part of a dense ionic fluid continuum between ionic liquids and concentrated aqueous brines. Charge transport was shown to be governed by fluidity, with no discontinuity between molar conductivity and fluidity irrespective of cation, charge density or ionic radius. By adjusting the activity of water and chloride ions, mass transport, speciation
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An Efficient Pyrrolysyl-tRNA Synthetase for Economical Production of MeHis-containing Enzymes Faraday Discuss. (IF 3.4) Pub Date : 2024-03-07 Amy Elizabeth Hutton, Jake Foster, James E. J. Sanders, Christopher J Taylor, Stefan A Hoffmann, Yizhi Cai, Sarah Louise Lovelock, Anthony Green
Genetic code expansion has emerged as a powerful tool in enzyme design and engineering, providing new insights into sophisticated catalytic mechanisms and enabling the development of enzymes with new catalytic functions. In this regard, the non-canonical histidine analogue Nδ-methylhistidine (MeHis) has proven especially versatile due to its ability to serve as a metal coordinating ligand or a catalytic
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Tuning peroxidase activity of artificial P450 peroxygenase by engineering redox-sensitive residues Faraday Discuss. (IF 3.4) Pub Date : 2024-03-07 Fengjie Jiang, Zihan Wang, Zhiqi Cong
Cytochrome P450 monooxygenases (P450s) are well recognized as versatile bio-oxidation catalysts. However, the catalytic functions of P450s are highly dependent on NAD(P)H and the redox partner proteins. Our group has recently reported to use a dual-functional small molecule (DFSM) for generating peroxygenase activity of P450BM3, a long-chain fatty acid hydroxylase from Bacillus megaterium. The DFSM-facilitated
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Identification of reaction intermediates in the decomposition of formic acid on Pd Faraday Discuss. (IF 3.4) Pub Date : 2024-03-07 Jan Fingerhut, Loïc Lecroart, Michael Schwarzer, Stefan Hörandl, Dmitriy Borodin, Alexander Kandratsenka, Alec M Wodtke, Daniel J Auerbach, Theofanis N. Kitsopoulos
Uncovering the role of reaction intermediates is crucial to developing an understanding of heterogeneous catalysis because catalytic reactions often involve complex networks of elementary steps. Unfortunately, the short lifetimes and low concentrations of intermediates present during reaction often makes observing and identifying them with surface sensitive spectroscopies experimentally challenging
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Adsorption and Vibrational Spectroscopy of CO on the Surface of MgO from Periodic Local Coupled-Cluster Theory Faraday Discuss. (IF 3.4) Pub Date : 2024-03-06 Hong-Zhou Ye, Timothy C. Berkelbach
The adsorption of CO on the surface of MgO has long been a model problem in surface chemistry. Here, we report periodic Gaussian-based calculations for this problem using second-order perturbation theory (MP2) and coupled-cluster theory with single and double excitations (CCSD) and perturbative triple excitations [CCSD(T)], with the latter two performed using a recently developed extension of the local
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Heterogeneous Li coordination in Solvent-in-Salt electrolytes enables high Li transference numbers Faraday Discuss. (IF 3.4) Pub Date : 2024-03-05 Anne Hockmann, Florian Ackermann, Diddo Diddens, Isidora Cekic-Laskovic, Monika Schönhoff
The transport properties and the underlying coordination structure of a ternary electrolyte consisting of lithium bis(trifluoromethanesulfonyl)imide (LiTFSI), 1,2-dimethoxyethane (DME), and 1,3-dioxolane (DOL) is studied over a wide concentration range up to a Solvent-in-Salt (SiS) electrolyte. Among other advantages for next-generation battery application, SiS electrolytes offer high lithium transference
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Degradation of PET microplastic particles to monomers in human serum by PETase Faraday Discuss. (IF 3.4) Pub Date : 2024-03-04 Ximena Lopez-Lorenzo, David Hueting, Eliott Bosshard, Per-Olof Syrén
More than 8 bton of plastic waste has been generated posing severe environmental consequences and health risks. Due to prolonged exposure, microplastic particles are found in human blood and other bodily fluids. Despite a lack of toxicity studies regarding microplastics, harmful effects for humans seem plausible and cannot be excluded. As small plastic particles readily translocate from the gut to
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Developing Deprotectase Biocatalysts for Synthesis. Faraday Discuss. (IF 3.4) Pub Date : 2024-03-01 Lisa Kennedy, Mariyah Sajjad, Michael Herrera, Peter Szieber, Natasza Rybacka, Yinan Zhao, Craig Steven, Zainab Alghamdi, Ivan Zlatkov, Julie Hagen, Chloe Lauder, Natalie Rudolfova, Magdalena Abramiuk, Karolina Bolimowska, Daniel Joynt, Angelica Lucero, Gustavo Perez Ortiz, Annamaria Lilienkampf, Alison N Hulme, Dominic James Campopiano
Organic synthesis often requires multiple steps where a functional group (FG) is concealed from reaction by a protecting group (PG). Common PGs include N-carbobenzyloxy (Cbz or Z) of amines and tert-butyloxycarbonyl (OtBu) of acids. An essential step is the removal of the PG, but this often requires excess reagents, extensive time and can have low % yield. An overarching goal of biocatalysis is to
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Friends and Relatives: Insight Into Conformational Regulation from Orthologues and Evolutionary Lineages using KIF and KIN Faraday Discuss. (IF 3.4) Pub Date : 2024-02-29 Dariia Yehorova, Rory M. Crean, Peter M Kasson, Shina Caroline Lynn Kamerlin
Noncovalent interaction networks provide a powerful means to represent and analyze protein structure. Such networks can represent both static structures and dynamic conformational ensembles. We have recently developed two tools for analyzing such interaction networks and generating hypotheses for protein engineering. Here, we apply these tools to the conformational regulation of substrate specificity
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Exploring the Selectivity of Cytochrome P450 for Enhanced Novel Anticancer Agent Synthesis Faraday Discuss. (IF 3.4) Pub Date : 2024-02-28 Janko Čivić, Neil Rory Mcfarlane, Joleen Masschelein, Jeremy Harvey
Cytochrome P450 monooxygenases are an extensive and unique class of enzymes, which can regio- and stereo-selectively functionalise hydrocarbons by way of oxidation reactions. These enzymes are naturally occurring but have also been extensively applied in a synthesis context, where they are used as efficient biocatalysts. Recently, a biosynthetic pathway where a cytochrome P450 monooxygenase catalyses
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Vibrational energy transfer in ammonia-helium collisions Faraday Discuss. (IF 3.4) Pub Date : 2024-02-28 Jérôme Loreau, Ad van der Avoird
While the rotational energy transfer of ammonia by rare gas atoms and hydrogen molecules has been the focus of many studies, little is known about its vibrational relaxation, even though transitions involving the umbrella bending mode have been observed in many astrophysical environments. Here we explore the vibrational relaxation of the umbrella mode of ammonia induced by collisions with helium atoms
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Oxygen-resistant [FeFe]hydrogenases: new biocatalysis tools for clean energy and cascade reactions Faraday Discuss. (IF 3.4) Pub Date : 2024-02-21 Francesca Valetti, Simone Morra, Lisa Barbieri, Sabrina Dezzani, Alessandro Ratto, Gianluca Catucci, Sheila J. Sadeghi, Gianfranco Gilardi
The use of enzymes to generate hydrogen, instead of using rare metal catalysts, is an exciting area of study in modern biochemistry and biotechnology, as well as biocatalysis driven by sustainable hydrogen. Thus far, the oxygen sensitivity of the fastest hydrogen-producing/exploiting enzymes, [FeFe]hydrogenases, has hindered their practical application, thereby restricting innovations mainly to their
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On-Surface Chemical Dynamics of Monolayer, Bilayer, and Many-Layered Graphene Surfaces Probed with Supersonic Beam Scattering and STM Imaging Faraday Discuss. (IF 3.4) Pub Date : 2024-02-21 Joshua Wagner, Ross Edel, Tim Grabnic, Bryan Wiggins, Steven J Sibener
We have developed the capability to elucidate interfacial reaction dynamics using an arguably unique combination of supersonic molecular beams combined with in situ STM visualization. These capabilities have been implemented in order to reveal the complex spatiotemporal correlations that govern the oxidation of graphitic systems spanning atomic-, nano-, and meso-length scales. In this study, the 3
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High-level analytical potential-energy-surface-based dynamics of the OH− + CH3CH2Cl SN2 and E2 reactions in full (24) dimensions Faraday Discuss. (IF 3.4) Pub Date : 2024-02-21 Andras B. Nacsa, Csenge Tokaji, Gabor Czako
We develop a coupled-cluster full-dimensional global potential energy surface (PES) for the OH− + CH3CH2Cl reactive system, using the ROBOSURFER program package, which automatically samples configurations along PES-based trajectories as well as performs ab initio computations with MOLPRO and fitting with the monomial symmetrization approach. The analytical PES accurately describes both the bimolecular
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Spiers Memorial Lecture: Challenges and prospects in organic photonics and electronics Faraday Discuss. (IF 3.4) Pub Date : 2024-02-21 Michele Catacchio, Mariapia Caputo, Lucia Sarcina, Cecilia Scandurra, Angelo Tricase, Verdiana Marchianò, Eleonora Macchia, Paolo Bollella, Luisa Torsi
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Towards Controlling Activity of a Peptide Asparaginyl Ligase (PAL) by Lumazine Synthetase Compartmentalization Faraday Discuss. (IF 3.4) Pub Date : 2024-02-20 TM Simon Tang, Louis YP Luk
Peptide asparaginyl ligases (PALs) hold significant potential in protein bioconjugation due to their excellent kinetic properties and broad substrate compatibility. However, realizing their full potential in biocatalytic applications requires precise control of their activity. Inspired by nature, we aimed to compartmentalize a representative PAL, OaAEP1-C247A, within protein containers to create artificial
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Determination of collision mechanisms at low energies using four-vector correlations Faraday Discuss. (IF 3.4) Pub Date : 2024-02-20 Pablo G Jambrina, James F. E. Croft, Balakrishnan Naduvalath, Hua Guo, F. Javier Aoiz
In molecular dynamics, a fundamental question is how the outcome of a collision depends on the relative orientation of the collision partners before their interaction begins (the stereodynamics of the process). The preference for a particular orientation of the reactant complex is intimately related to the idea of a collision mechanism and the possibility of control, as revealed in recent experiments
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Crossed molecular beam experiments and theoretical simulations on the multichannel reaction of toluene with atomic oxygen Faraday Discuss. (IF 3.4) Pub Date : 2024-02-20 Nadia Balucani, Gianmarco Vanuzzo, Pedro Recio, Adriana Caracciolo, Marzio Rosi, Carlo Cavallotti, Alberto Baggioli, Andrea Della Libera, Piergiorgio Casavecchia
Despite extensive experimental and theoretical studies on the kinetics of the O(3P) + C7H8 (toluene) reaction and a pioneering crossed molecular beam (CMB) investigation, the branching fractions (BFs) of the CH3C6H4O(methylphenoxy) + H, C6H5O(phenoxy) + CH3, and spin-forbidden C5H5CH3 (methylcyclopentadiene) + CO product channels remain an open question which has hampered the proper inclusion of this
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Reaction interferometry with ultracold molecules Faraday Discuss. (IF 3.4) Pub Date : 2024-02-16 Jeshurun Luke, Lingbang Zhu, Yi-Xiang Liu, Kang-Kuen Ni
We propose to coherently control the ultracold 2KRb $\rightarrow$ K$_2$ + Rb$_2$ reaction product state distribution via quantum interference. By leveraging that the nuclear spin degrees of freedom in the reaction maintain coherence, which was demonstrated in Liu and Zhu et al., arXiv:2310:07620, we explore the concept of a ``reaction interferometer.'' Such an interferometer involves splitting one
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Reaction Dynamics of the Methoxy Anion CH3O- with Methyl Iodide CH3I Faraday Discuss. (IF 3.4) Pub Date : 2024-02-16 Thomas Gstir, David Sundelin, Tim Michaelsen, Atilay Ayasli, Dasarath Swaraj, Jerin Judy, Fabio Zappa, Wolf Dietrich Geppert, Roland Wester
Studying larger nucleophiles in bimolecular nucleophilic substitution (SN 2) reactions bridges the gap from simple model systems to those relevant to organic chemistry. Therefore, we investigated the reaction dynamics between the methoxy anion (CH3O-) and iodomethane (CH3I) in our crossed-beam setup combined with velocity map imaging at the four collision energies 0.4, 0.7, 1.2, and 1.6 eV. We find
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Temperature dependent stereodynamics in surface scattering measured through subtle changes in the molecular wave function Faraday Discuss. (IF 3.4) Pub Date : 2024-02-14 Helen Chadwick, Gil Alexandrowicz
A magnetically manipulated molecular beam technique is used to change the rotational orientation of H2 molecules which collide with a stepped Cu(511) surface and explore how the polarisation dependence of molecules scattering into the specular channel changes as a function of surface temperature. At all temperatures, H2 molecules that are rotating like cartwheels are more likely to be scattered into
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On the Biocatalytic Synthesis of Silicone Polymers Faraday Discuss. (IF 3.4) Pub Date : 2024-02-13 Yuqing Lu, Lu Shin Wong
Polysiloxanes, with poly(dimethyl)siloxane (PDMS) being the most common example, are widely used in various industrial and applications due to their Si-O-Si backbone structure. The conventional synthesis of PDMS involves the hydrolysis of dichlorodimethylsilane, which raises environmental concerns due to the usage of chlorinated compounds. Herein, a biocatalytic approach for PDMS synthesis is demonstrated
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Reaction dynamics of S(3P) with 1,3-butadiene and isoprene: Crossed beam scattering, low temperature flow experiments, and high-level electronic structure calculations Faraday Discuss. (IF 3.4) Pub Date : 2024-02-07 Jinxin Lang, Casey D. Foley, Shameemah Thawoos, Abbas Behzadfar, Yanan Liu, Judit Zádor, Arthur Suits
Sulfur atoms serve as key players in diverse chemical processes from astrochemistry at very low temperature to combustion at high temperature. Building upon our prior findings showing cyclization to thiophenes following reaction of ground state sulfur atoms with dienes, we here extend this investigation to include many additional reaction products guided by detailed theoretical predictions. The outcomes
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Inelastic Scattering of NO(A2Σ+) + CO2; Rotation-Rotation Pair-Correlated Differential Cross Sections Faraday Discuss. (IF 3.4) Pub Date : 2024-02-06 Joseph G Leng, Thomas R Sharples, Martin Fournier, Kenneth G McKendrick, Luca Craciunescu, Martin J. Paterson, Matthew L Costen
A crossed beam velocity-map ion-imaging appratus has been used to determine differential cross sections (DCSs) for rotationally inelastic scattering of NO(A2Σ+, v = 0, j = 0.5) with CO2, as a function of both NO(A, v = 0, N′) final state and the coincident final rotational energy of the CO2. The DCSs are dominated by forward-peaked scattering for all N′, with significant rotational excitation of CO2
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Application of rational enzyme engineering in a new route to Etonogestrel and Levonorgestrel: Carbonyl reductase bioreduction of ethyl secodione Faraday Discuss. (IF 3.4) Pub Date : 2024-02-06 Daniel F.A.R. Dourado, Andrew Rowan, Sergej Maciuk, Jenny Spratt, Gareth Brown, Gray Darren, Jill Caswell, Alexandra Carvalho, Fernando Turespinosa, Drazen Pavlovic, Derek Quinn, Tom Moody, Stefan Mix
Women in developing countries still face enormous challenges when accessing reproductive health care. Access to voluntary family planning empowers women allowing them to complete their education and join the paid workforce. This effectively helps to end poverty, hunger and promotes good health for all. According to the United Nations (UN) organization, in 2022, an estimated 257 million women still
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Probing the Interfacial Structure of Aqueous Surfactants through Helium Atom Evaporation Faraday Discuss. (IF 3.4) Pub Date : 2024-02-05 Xiao-Fei Gao, David J. Hood, Timothy H. Bertram, Gilbert M. Nathanson
Dissolved helium atoms evaporate from liquids in super-Maxwellian speed distributions because their interactions are too weak to enforce full thermal equilibration at the surface as they are "squeezed" out of solution. The excess speeds of these He atoms reflect their final interactions with solvent and solute molecules at the surfaces of water and other liquids. We extend this observation by monitoring
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Scattering resonances in the rotational excitation of HDO by Ne and normal-H2: theory and experiment Faraday Discuss. (IF 3.4) Pub Date : 2024-02-01 Ricardo Manuel García-Vázquez, Astrid Bergeat, Otoniel Denis-Alpizar, Alexandre Faure, Thierry Stoecklin, sebastien morales
The rotational excitation of singly deuterated water molecule (HDO) by a heavy atom (Ne) and a light diatomic molecule (H2) is investigated theoretically and experimentally in the near-threshold regime. Crossed-molecular beam measurements with a variable crossing angle are compared to close-coupling calculations based on high-accuracy potential energy surfaces. The two lowest rotational transitions
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Isomeric and rotational effects in the chemi-ionisation of 1,2-dibromoethene with metastable neon atoms Faraday Discuss. (IF 3.4) Pub Date : 2024-02-01 Amit Mishra, Junggil Kim, Sang Kyu Kim, Stefan Willitsch
The specific geometry of a molecule can have a pronounced influence on its chemical reactivity. However, experimental data on reactions of individual molecular isomers are still sparse because they are often difficult to separate and frequently interconvert into one another under ambient conditions. Here, we employ a novel crossed-beam experiment featuring an electrostatically controlled molecular
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Dynamics of collisions and uptake of alcohol molecules with hydrated nitric acid clusters Faraday Discuss. (IF 3.4) Pub Date : 2024-01-30 Karolina Farnikova, Eva Pluharova, Andriy Pysanenko, Michal Farnik, Yan Yihui, Jozef Lengyel
We investigate the collisions of different alcohol molecules with hydrated nitric acid clusters using a molecular beam experiment and molecular dynamics simulations. The uptake cross sections σp for the molecules evaluated from the experiment are in an excellent agreement with the simulations. It suggests that (i) the nontrivial assumptions implemented in the evaluation procedure of the experimental
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Time-Resolved Surface Reaction Kinetics in the Pressure Gap Faraday Discuss. (IF 3.4) Pub Date : 2024-01-30 Tzu-En Chien, Lea Hohmann, Daniel Harding
We extend the use of our recently developed Near-Ambient Pressure Velocity Map Imaging (NAP-VMI) technique to study the kinetics and dynamics of catalytic reactions in the pressure gap. As an example, we show that NAP- VMI combined with molecular beam surface scattering allows the direct measurement of time- and velocity- resolved kinetics of the scattering and oxidation of CO on the Pd(110) surface
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Diffractive mirrors for neutral-atom matter-wave optics Faraday Discuss. (IF 3.4) Pub Date : 2024-01-30 Leeyeong Kim, Do Won Kang, Sanghwan Park, Seongyeop Lim, Jangwoo Kim, Wieland Schöllkopf, Bum Suk Zhao
Mirrors for atoms and molecules are essential tools for matter-wave optics with neutral particles. Their realization has required either a clean and atomically smooth crystal surface, sophisticated tailored electromagnetic fields, nanofabrication, or particle cooling because of the inherently short de Broglie wavelengths and strong interactions of atoms with surfaces. Here, we demonstrate reflection
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Dissociative chemisorption of O2 on Al(111): Dynamics on a potential energy surface computed with a non-self-consistent screened hybrid density functional approach Faraday Discuss. (IF 3.4) Pub Date : 2024-01-26 Robert van Bree, N Gerrits, Geert-Jan Kroes
Density functional theory (DFT) at the generalized gradient approximation (GGA) level is often considered the best compromise between feasibility and accuracy for reactions of molecules on metal surfaces. Recent work, however, strongly suggests that density functionals (DFs) based on GGA exchange are not able to describe molecule-metal surface reactions for which the work function of the metal surface
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ABORTIVE REACTION LEADS TO SELECTIVE ADSORBATE ROTATION Faraday Discuss. (IF 3.4) Pub Date : 2024-01-25 John C Polanyi, Yi-Fang Lai, Lydie Leung, Matthew James Timm, Gilbert Walker
Electron-induced dissociation of a fluorocarbon adsorbate CF3 (ad) at 4.6 K is shown by Scanning Tunneling Microscopy (STM) to form directed energetic F-atom ‘projectiles’ on Cu(110). The outcome of collision between these directed projectiles and stationary co-adsorbed allyl ‘target’ molecules was found by STM to give rotational excitation of the target allyl, clockwise or anti-clockwise, depending
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To form or not to form a reaction complex: Exploring ion-molecule reactions between C3H4 isomers and Xe+ and O2+ Faraday Discuss. (IF 3.4) Pub Date : 2024-01-23 Chase Zagorec-Marks, G. Stephen Kocheril, Olivia Krohn, Trevor Kieft, Alicja Karpinska, Timothy P Softley, Heather Lewandowski
Ion-molecule reactions are an essential contributor to the chemistry of a diverse range of environments. While a great deal of work has been done to understand the fundamental mechanisms driving these reactions, there is still much more to discover. Here, we expand upon prior studies on ion-molecule reactions involving two isomers of \ce{C3H4}, allene (\ce{H2C3H2}) and propyne (\ce{H3C3H}). Specifically
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Concluding remarks: a summary of the Faraday Discussion on rechargeable non-aqueous metal–oxygen batteries Faraday Discuss. (IF 3.4) Pub Date : 2023-12-19 Laurence J. Hardwick
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Concluding remarks for Faraday Discussion on Water at Interfaces Faraday Discuss. (IF 3.4) Pub Date : 2023-12-15 Mischa Bonn
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Concluding remarks: challenges and prospects in organic photonics and electronics Faraday Discuss. (IF 3.4) Pub Date : 2023-12-15 Hiroyuki Nishide
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Spiers Memorial Lecture: Lithium air batteries – tracking function and failure Faraday Discuss. (IF 3.4) Pub Date : 2023-12-04 Jana B. Fritzke, James H. J. Ellison, Laurence Brazel, Gabriela Horwitz, Svetlana Menkin, Clare P. Grey
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Luminescence mechanism analysis of a TADF molecule showing peculiar thermal behavior Faraday Discuss. (IF 3.4) Pub Date : 2023-11-30 Youichi Tsuchiya, Keito Mizukoshi, Masaki Saigo, Tomohiro Ryu, Kiyoshi Miyata, Ken Onda, Chihaya Adachi
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Excited-state dynamics of C3-symmetric heptazine-based thermally activated delayed-fluorescence emitters Faraday Discuss. (IF 3.4) Pub Date : 2023-11-17 Katrina Bergmann, Zachary M. Hudson
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Photocatalytic CO2 reduction by topologically matched polymer–polymer heterojunction nanosheets Faraday Discuss. (IF 3.4) Pub Date : 2023-11-15 Catherine M. Aitchison, Yu Zhang, Wanpeng Lu, Iain McCulloch
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Single-crystalline oligomer-based conductors modeling the doped poly(3,4-ethylenedioxythiophene) family Faraday Discuss. (IF 3.4) Pub Date : 2023-11-14 Tomoko Fujino, Ryohei Kameyama, Kota Onozuka, Kazuki Matsuo, Shun Dekura, Kazuyoshi Yoshimi, Hatsumi Mori
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Flow cells and reactor design: general discussion. Faraday Discuss. (IF 3.4) Pub Date : 2023-10-31 Anas Alkayal,Mickaël Avanthay,Belen Batanero,Pim Broersen,Richard C D Brown,Luke Chen,Ping-Chang Chuang,Toshio Fuchigami,Shinsuke Inagi,Dipannita Kalyani,Kevin Lam,Maya Landis,T Leo Liu,Matthew J Milner,Robert Price,Naoki Shida,Thomas Wirth
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Understanding and controlling organic electrosynthesis mechanism: general discussion. Faraday Discuss. (IF 3.4) Pub Date : 2023-10-31 Mickaël Avanthay,Belen Batanero,Christoph Bondue,Dylan G Boucher,Pim Broersen,Richard C D Brown,Luke Chen,Anthony Choi,Ching Wai Fong,Toshio Fuchigami,David P Hickey,Alexander Kuhn,Kevin Lam,Yun-Ju Liao,T Leo Liu,Shelley D Minteer,Kevin Moeller,Zachary A Nguyen,Naoki Shida
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New strategies in organic electrosynthesis: general discussion. Faraday Discuss. (IF 3.4) Pub Date : 2023-10-31 Mickaël Avanthay,Joshua A Beeler,Belen Batanero,Dylan G Boucher,Richard C D Brown,Victoria Flexer,Robert Francke,Bernardo Antonio Frontana-Uribe,Seyyedamirhossein Hosseini,Long Luo,Shelley D Minteer,Robert Price,Naoki Shida,José Manuel Ramos-Villaseñor,Thomas Wirth
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An organic transistor for detecting the oxidation of an organic sulfur compound at a solid–liquid interface and its chemical sensing applications Faraday Discuss. (IF 3.4) Pub Date : 2023-10-16 Yui Sasaki, Yijing Zhang, Kohei Ohshiro, Kazuhiko Tsuchiya, Xiaojun Lyu, Masao Kamiko, Yoshinori Ueno, Hikaru Tanaka, Tsuyoshi Minami
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Unraveling the solvent stability on the cathode surface of Li–O2 batteries by using in situ vibrational spectroscopies Faraday Discuss. (IF 3.4) Pub Date : 2023-10-16 Aimin Ge, Ryuuta Nagai, Kota Nemoto, Bingbing Li, Koki Kannari, Ken-ichi Inoue, Shen Ye
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Preface: Iontronics: from fundamentals to ion-controlled devices Faraday Discuss. (IF 3.4) Pub Date : 2023-10-03 Sanli Faez, Serge G. Lemay
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The effect of surface hydrophobicity and hydrophilicity on ion–ion interactions at water–solid interfaces Faraday Discuss. (IF 3.4) Pub Date : 2023-10-03 Dong Guan, Ye Tian, Yizhi Song, Mengze Zhao, Kaihui Liu, Li-Mei Xu, En-Ge Wang, Ying Jiang
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Dissolved LiO2 or adsorbed LiO2? The reactive superoxide during discharging process in lithium–oxygen batteries Faraday Discuss. (IF 3.4) Pub Date : 2023-09-27 Chuan Tan, Wentao Wang, Yuping Wu, Yuhui Chen
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Singlet fission is incoherent in pristine orthorhombic single crystals of rubrene: no evidence of triplet-pair emission Faraday Discuss. (IF 3.4) Pub Date : 2023-09-26 David G. Bossanyi, Maik Matthiesen, Rahul Jayaprakash, Sayantan Bhattacharya, Jana Zaumseil, Jenny Clark
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Laboratory astrochemistry of the gas phase: general discussion. Faraday Discuss. (IF 3.4) Pub Date : 2023-09-20 Nadia Balucani,Michelle Brann,Sandra Brünken,Cecilia Ceccarelli,Martin Cordiner,Eric M Crump,Kevin M Douglas,Adam J Fleisher,Athena Flint,Jack Fulker,Robin T Garrod,Murthy S Gudipati,Divita Gupta,Joshua Halpern,Dwayne E Heard,Eric Herbst,Emily K Hockey,Ko-Yun Huang,Ugo Jacovella,Inga Kamp,Alexander K Lemmens,Nikku Madhusudhan,Martin R S McCoustra,Brett McGuire,Anthony Meijer,Cristina Puzzarini,Daniël
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Observational astrochemistry in the age of ALMA, NOEMA, JWST and beyond!: general discussion. Faraday Discuss. (IF 3.4) Pub Date : 2023-09-20 Eleonora Bianchi,Sandra Brünken,Cecilia Ceccarelli,Martin Cordiner,Athena Flint,Robin T Garrod,Murthy S Gudipati,Divita Gupta,Dwayne E Heard,Eric Herbst,Ko-Yun Huang,Inga Kamp,Jialu Li,Nikku Madhusudhan,Rafael Martin Domenech,Martin R S McCoustra,Anthony Meijer,Stefanie Milam,Tom J Millar,Karolina Plakitina,Ian Sims,Ewine F van Dishoeck,Serena Viti,Nicholas Walker,Laurent Wiesenfeld,Olivia H Wilkins
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Laboratory astrochemistry of and on dust and ices: general discussion. Faraday Discuss. (IF 3.4) Pub Date : 2023-09-20 Nadia Balucani,Mathieu Bertin,Michelle Brann,Wendy A Brown,Cecilia Ceccarelli,Rafael Martín-Doménech,Jack Fulker,Robin T Garrod,Joel Green,Murthy S Gudipati,Dwayne E Heard,Eric Herbst,Ugo Jacovella,Inga Kamp,Martin R S McCoustra,W M C Sameera,Ian Sims,Ardjan Sturm,Serena Viti,Susanna Widicus Weaver,Laurent Wiesenfeld,Olivia H Wilkins
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Green-light wavelength-selective organic solar cells for agrivoltaics: dependence of wavelength on photosynthetic rate Faraday Discuss. (IF 3.4) Pub Date : 2023-09-19 Seihou Jinnai, Naoto Shimohara, Kazunori Ishikawa, Kento Hama, Yohei Iimuro, Takashi Washio, Yasuyuki Watanabe, Yutaka Ie
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Spiers Memorial Lecture: Water at interfaces Faraday Discuss. (IF 3.4) Pub Date : 2023-09-18 Shane W. Devlin, Franky Bernal, Erika J. Riffe, Kevin R. Wilson, Richard J. Saykally
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Effects of halogen atom substitution on luminescent radicals: a case study on tris(2,4,6-trichlorophenyl)methyl radical-carbazole dyads Faraday Discuss. (IF 3.4) Pub Date : 2023-09-14 Kazuhiro Nakamura, Kenshiro Matsuda, Rui Xiaotian, Minori Furukori, Satoshi Miyata, Takuya Hosokai, Kosuke Anraku, Kohei Nakao, Ken Albrecht