Cost-effective composite methods for large-scale solid-state calculations

JOURNAL ARTICLE published 2020 in Faraday Discussions

Authors: L. Donà | J. G. Brandenburg | I. J. Bush | B. Civalleri

Back cover

JOURNAL ARTICLE published 2021 in Faraday Discussions

Significance of atomic-scale defects in flexible surfaces on local solvent and ion behaviour

JOURNAL ARTICLE published 2022 in Faraday Discussions

Research funded by Engineering and Physical Sciences Research Council (EP/R018820/1,EP/R029431,EP/T022213)

Authors: Veselina Marinova | Colin L. Freeman | John H. Harding

Contents list

JOURNAL ARTICLE published 2021 in Faraday Discussions

Explorations of the nonheme high-valent iron-oxo landscape: crystal structure of a synthetic complex with an [FeIV2(μ-O)₂] diamond core relevant to the chemistry of sMMOH

JOURNAL ARTICLE published 2022 in Faraday Discussions

Research funded by National Institutes of Health (R01 GM-38767,R35 GM-131721) | U.S. Department of Energy (DE-AC02-98CH10886)

Authors: Gregory T. Rohde | Genqiang Xue | Lawrence Que

Front cover

JOURNAL ARTICLE published 2022 in Faraday Discussions

Modelling nonlocal nonlinear spin dynamics in antiferromagnetic orthoferrites

JOURNAL ARTICLE published 2022 in Faraday Discussions

Research funded by H2020 European Research Council (MAGSHAKE/852050)

Authors: Yuichi Saito | Rostislav V. Mikhaylovskiy

The limit of macroscopic homogeneous ice nucleation at the nanoscale

JOURNAL ARTICLE published 2024 in Faraday Discussions

Research funded by Engineering and Physical Sciences Research Council (EP/T517847/1) | Leverhulme Trust (ECF-2018-127) | Royal Society (URF\R1\211144) | University of Warwick (ECF-2018-127)

Authors: John A. Hayton | Michael B. Davies | Thomas F. Whale | Angelos Michaelides | Stephen J. Cox

Ionic current driven by a viscosity gradient

JOURNAL ARTICLE published 2023 in Faraday Discussions

Research funded by National Science Foundation (1904511)

Authors: Benjamin Wiener | Derek Stein

A phenazine-based conjugated microporous polymer as a high performing cathode for aluminium–organic batteries

JOURNAL ARTICLE published 2024 in Faraday Discussions

Research funded by Horizon 2020 Framework Programme (860403,101017821) | Ministerio de Ciencia e Innovación (IJC2020-043076-I-I,PID2021-124974OB-C21,PID2019-106315RB-I00) | Javna Agencija za Raziskovalno Dejavnost RS (P2-0423,J2-4462,N2-0279)

Authors: Rebecca Grieco | Olivera Luzanin | Diego Alvan | Marta Liras | Robert Dominko | Nagaraj Patil | Jan Bitenc | Rebeca Marcilla

Make – underpinning concepts of the synthesis of systems where non-covalent interactions are important: general discussion

JOURNAL ARTICLE published 2023 in Faraday Discussions

Authors: Torsten Beweries | Michael R. Buchmeiser | Frances E. Bugden | Neil R. Champness | Basheer Chanbasha | Miquel Costas | Jorge Echeverria | Odile Eisenstein | Calum Ferguson | Joe C. Goodall | Rafael Gramage-Doria | Mark Greenhalgh | Matthew Gyton | Rens Ham | Pierre Kennepohl | Bartosz Lewandowski | Wei-Chun Liu | Stuart A. Macgregor | Kamran T. Mahmudov | Eva Meeus | Josh Morris | Pinkie Ntola | Tatjana N. Parac-Vogt | Robin N. Perutz | Albert Poater | David Powers | Paul R. Raithby | Joost N. H. Reek | Imogen Riddell | Thomas R. Ward | Andrew S. Weller | Helma Wennemers

Insight into the K channel's selectivity from binding of K⁺, Na⁺ and water to N-methylacetamide

JOURNAL ARTICLE published 2024 in Faraday Discussions

Research funded by National Nuclear Security Administration (DE-NA-0003525)

Authors: Mark J. Stevens | Susan L. B. Rempe

Dissolved LiO₂ or adsorbed LiO₂? The reactive superoxide during discharging process in lithium–oxygen batteries

JOURNAL ARTICLE published 2024 in Faraday Discussions

Research funded by Natural Science Foundation of Jiangsu Province (BK20220051) | National Natural Science Foundation of China (21975124,52173173) | National Key Research and Development Program of China (2020YFC1807200)

Authors: Chuan Tan | Wentao Wang | Yuping Wu | Yuhui Chen

Understanding and controlling organic electrosynthesis mechanism: general discussion

JOURNAL ARTICLE published 2023 in Faraday Discussions

Authors: 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

Poster list

JOURNAL ARTICLE published 2023 in Faraday Discussions

Electrochemical hydrogen isotope exchange of amines controlled by alternating current frequency

JOURNAL ARTICLE published 2023 in Faraday Discussions

Research funded by U.S. Department of Energy (DE-AC02-05CH11231,DE-SC0023324) | National Institute of General Medical Sciences (1R35 GM142590)

Authors: Nibedita Behera | Disni Gunasekera | Jyoti P. Mahajan | Joseph Frimpong | Zhen-Fei Liu | Long Luo

Kinetics and basic understanding: general discussion

JOURNAL ARTICLE published 2023 in Faraday Discussions

Authors: Alexander Angerhofer | Thomas Auvray | Viktor Balema | Matej Baláž | James D. Batteas | Richard G. Blair | Elena Boldyreva | Carsten Bolm | Lars Borchardt | Tristan H. Borchers | Adam B. Braunschweig | Duncan L. Browne | Robert W. Carpick | Maria Ciaccia | Stephen Craig | Franziska Emmerling | Michael Ferguson | Cecilia Fiore | Tomislav Friščić | Sven Grätz | Ivan Halasz | Ehsan Hamzehpoor | Hajime Ito | Stuart James | Jeung Gon Kim | Frédéric Lamaty | Giulio I. Lampronti | Danielle Laurencin | Jamie Leitch | Erli Lu | Stipe Lukin | James Mack | Lucia Maini | Ashlie Martini | Paolo P. Mazzeo | Adam A. L. Michalchuk | Sébastien Mittelette | Sharmarke Mohamed | Audrey Moores | Aldo de Jesús Mortera-Carbonell | Karthik Nagapudi | Allan Niidu | Francesco Puccetti | Martin Stahorský | Leonarda Vugrin

List of participants

JOURNAL ARTICLE published 2023 in Faraday Discussions

Poster list

JOURNAL ARTICLE published 2023 in Faraday Discussions

Fuelling electrocatalysis at a single nanoparticle by ion flow in a nanoconfined electrolyte layer

JOURNAL ARTICLE published 2023 in Faraday Discussions

Research funded by Agence Nationale de la Recherche (DIADEM/ANR-21-CE29-0021)

Authors: Louis Godeffroy | Viacheslav Shkirskiy | Jean-Marc Noël | Jean-François Lemineur | Frédéric Kanoufi