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Currently displaying 81 - 100 of 345 publications

Author(s)

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Journal Name

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Min

Max

The interplay of solvation and polarization effects on ion pairing in nanoconfined electrolytes

K Fong, B Sumic, N O'Neill, C Schran, C Grey, A Michaelides

(2024)

(doi: 10.26434/chemrxiv-2024-r67mx)

Dynamics and nano-rheology of interfacial water: General discussion

XR Advincula, KE Blow, M Bonn, AT Bui, Y Cheng, SJ Cox, F Della Pia, U Diebold, L Fumagalli, G Goel, JA Hayton, Y Jiang, V Kapil, N Kavokine, K Koga, D Laage, M Lahav, S Miao, A Michaelides, P Montero de Hijes, K Morgenstern, T Mukherjee, N O'Neill, D Pan, PM Piaggi, SLB Rempe, M Salvalaglio, CG Salzmann, T Sayer, M Shepelenko, GC Sosso, S Wang, B Webber, AP Willard, Y Yao

Faraday Discuss

(2024)

249

243

(doi: 10.1039/d3fd90064a)

The limit of macroscopic homogeneous ice nucleation at the nanoscale

JA Hayton, MB Davies, TF Whale, A Michaelides, SJ Cox

FARADAY DISCUSSIONS

(2024)

249

210

(doi: 10.1039/d3fd00099k)

Soft matter–water interface: general discussion

EHG Backus, G Ben Ari, S Benaglia, M Bonn, AT Bui, SJ Cox, F Della Pia, J Fraxedas, G Goel, Y Jiang, D Jin, K Koga, D Laage, S Miao, A Michaelides, K Morgenstern, T Mukherjee, Y Nagata, H Naito, O Nir, M Olvera de la Cruz, H Orlikowska-Rzeznik, D Pan, SLB Rempe, CG Salzmann, A Taira, A Vilangottunjalil, S Wang, AP Willard, Y Yao, J Yu

Faraday Discussions

(2024)

249

485

(doi: 10.1039/d3fd90066e)

Ice interfaces: General discussion

XR Advincula, EHG Backus, T Bartels-Rausch, S Benaglia, G Ben Ari, KE Blow, M Bonn, AT Bui, SJ Cox, F Della Pia, U Diebold, AR Finney, G Franceschi, L Fumagalli, G Goel, JA Hayton, C Holdship, Y Jiang, D Jin, V Kapil, N Kavokine, K Koga, D Laage, M Lahav, S Miao, A Michaelides, N Mohandas, K Morgenstern, T Mukherjee, Y Nagata, M Olvera de la Cruz, D Pan, PM Piaggi, SLB Rempe, P Ryan, CG Salzmann, T Sayer, RJ Saykally, M Shepelenko, GC Sosso, TF Whale, JJ White, AP Willard, P Zhang

Faraday discussions

(2024)

249

133

(doi: 10.1039/d3fd90063k)

Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts

J Schumann, M Stamatakis, A Michaelides, R Réocreux

Nat Chem

(2024)

154

(doi: 10.1038/s41557-023-01424-6)

Origin of dielectric polarization suppression in confined water from first principles.

T Dufils, C Schran, J Chen, AK Geim, L Fumagalli, A Michaelides

Chemical science

(2023)

516

(doi: 10.1039/d3sc04740g)

Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments.

BX Shi, A Zen, V Kapil, PR Nagy, A Grüneis, A Michaelides

J Am Chem Soc

(2023)

145

25372

(doi: 10.1021/jacs.3c09616)

Mesoscale Simulations Reveal How Salt Influences Clay Particles Agglomeration in Aqueous Dispersions

TTB Le, AR Finney, A Zen, T Bui, WJ Tay, K Chellappah, M Salvalaglio, A Michaelides, A Striolo

Journal of chemical theory and computation

(2023)

1612

(doi: 10.1021/acs.jctc.3c00719)

Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters

BX Shi, DJ Wales, A Michaelides, CW Myung

(2023)

The limit of macroscopic homogeneous ice nucleation at the nanoscale

JA Hayton, MB Davies, TF Whale, A Michaelides, SJ Cox

(2023)

Supercomputing modelling of advanced materials: preface

CRA Catlow, NH De Leeuw, A Michaelides, SM Woodley

Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences

(2023)

381

20220252

(doi: 10.1098/rsta.2022.0252)

Considerably Increased Dynamics of CO-Water Complexes over CO and Water Alone.

C Bertram, C Zaum, W Fang, A Michaelides, K Morgenstern

Nano Lett

(2023)

4793

(doi: 10.1021/acs.nanolett.3c00158)

pH-dependent water permeability switching and its memory in MoS₂ membranes.

CY Hu, A Achari, P Rowe, H Xiao, S Suran, Z Li, K Huang, C Chi, CT Cherian, V Sreepal, PD Bentley, A Pratt, N Zhang, KS Novoselov, A Michaelides, RR Nair

Nature

(2023)

616

719

(doi: 10.1038/s41586-023-05849-4)

Mechanisms of adsorbing hydrogen gas on metal decorated graphene

YS Al-Hamdani, A Zen, A Michaelides, D Alfè

Physical Review Materials

(2023)

035402

(doi: 10.1103/physrevmaterials.7.035402)