Unified non-equilibrium simulation methodology for flow through nanoporous carbon membrane

Authors: Monet, Geoffrey, Bocquet, Marie-Laure, Bocquet, Lydéric

Source: J. Chem. Phys. 159, 014501 (2023)

Subject Terms: Condensed Matter - Mesoscale and Nanoscale Physics, Condensed Matter - Soft Condensed Matter

Access URL: http://arxiv.org/abs/2302.08189

Coupled interactions at the ionic graphene/water interface

Authors: Robert, Anton, Berthoumieux, Hélène, Bocquet, Marie-Laure

Subject Terms: Condensed Matter - Soft Condensed Matter

Access URL: http://arxiv.org/abs/2204.08779

Chemi-sorbed versus physi-sorbed surface charge and its impact on electrokinetic transport: carbon versus boron-nitride surface

Authors: Mangaud, Etienne, Bocquet, Marie-Laure, Bocquet, Lydéric, Rotenberg, Benjamin

Source: J. Chem. Phys. 156, 044703 (2022)

Subject Terms: Physics - Chemical Physics

Access URL: http://arxiv.org/abs/2110.05378

Fluctuation-induced quantum friction in nanoscale water flows

Authors: Kavokine, Nikita, Bocquet, Marie-Laure, Bocquet, Lydéric

Source: Nature 602, 84-90 (2022)

Subject Terms: Condensed Matter - Mesoscale and Nanoscale Physics, Condensed Matter - Materials Science, Condensed Matter - Soft Condensed Matter, Condensed Matter - Statistical Mechanics

Access URL: http://arxiv.org/abs/2105.03413

Structure and Chemistry of Graphene Oxide in Liquid Water from First Principles

Authors: Mouhat, Félix, Coudert, François-Xavier, Bocquet, Marie-Laure

Source: Nature Communications, 2020, 11, 1566

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/1911.04987

Direct observation of water mediated single proton transport between hBN surface defects

Authors: Comtet, Jean, Grosjean, Benoit, Glushkov, Evgenii, Avsar, Ahmet, Watanabe, Kenji, Taniguchi, Takashi, Vuilleumier, Rodolphe, Bocquet, Marie-Laure, Radenovic, Aleksandra

Subject Terms: Condensed Matter - Mesoscale and Nanoscale Physics, Physics - Chemical Physics

Access URL: http://arxiv.org/abs/1906.09019

Quantifying Force and Energy in Single-Molecule Metalation

Authors: Rothe, Karl, Néel, Nicolas, Bocquet, Marie-Laure, Kröger, Jörg

Source: Journal of the American Chemical Society. 144(16):7054-7057

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN629222623&indx=1&recIds=ETOCRN629222623

Actinide Coordination Chemistry on Surfaces: Synthesis, Manipulation, and Properties of Thorium Bis(porphyrinato) Complexes

Authors: Rheinfrank, Erik, Pörtner, Mathias, del Carmen Nuñez Beyerle, Maria, Haag, Felix, Deimel, Peter S., Allegretti, Francesco, Seufert, Knud, Barth, Johannes V., Bocquet, Marie-Laure, Feulner, Peter

Source: Journal of the American Chemical Society. 143(36):14581-14591

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN627652043&indx=1&recIds=ETOCRN627652043

Spontaneous liquid water dissociation on hybridised boron nitride and graphene atomic layers from ab initio molecular dynamics simulationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c9cp06765e

Authors: Grosjean, Benoît, Robert, Anton, Vuilleumier, Rodolphe, Bocquet, Marie-Laure

Source: Physical chemistry chemical physics. 22(19):10710-10716

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100108018312.0x000001&indx=1&recIds=ETOCvdc_100108018312.0x000001

On-Surface Synthesis of Nonmetal Porphyrins

Authors: Baklanov, Aleksandr, Garnica, Manuela, Robert, Anton, Bocquet, Marie-Laure, Seufert, Knud, Küchle, Johannes T., Ryan, Paul T. P., Haag, Felix, Kakavandi, Reza, Allegretti, Francesco

Source: Journal of the American Chemical Society. 142(4):1871-1881

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN623095895&indx=1&recIds=ETOCRN623095895

Is graphene on Ru(0001) a nanomesh?

Authors: Brugger, Thomas, Günther, Sebastian, Wang, Bin, Dil, Hugo, Bocquet, Marie-Laure, Osterwalder, Jürg, Wintterlin, Joost, Greber, Thomas

Source: Phys. Rev. B 79, 045407 (2009)

Subject Terms: Condensed Matter - Materials Science

Access URL: http://arxiv.org/abs/0807.4286

In‐Situ Growth of Gadolinium Phthalocyaninato Sandwich Complexes on the Ag(111) Surface

Authors: Urgel, José I., Écija, David, Vijayaraghavan, Saranyan, Pörtner, Mathias, Bocquet, Marie‐Laure, Auwärter, Willi, Barth, Johannes V.

Source: Chemphyschem. 20(18):2301-2304

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100089393606.0x000001&indx=1&recIds=ETOCvdc_100089393606.0x000001

Versatile electrification of two-dimensional nanomaterials in water

Authors: Grosjean, Benoît, Bocquet, Marie-Laure, Vuilleumier, Rodolphe

Source: Nature communications. 10(1):1-8

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100131603451.0x000001&indx=1&recIds=ETOCvdc_100131603451.0x000001

Chemisorbed vs physisorbed surface charge and its impact on electrokinetic transport: Carbon vs boron nitride surface

Authors: Mangaud, Etienne, Bocquet, Marie-Laure, Bocquet, Lydéric, Rotenberg, Benjamin

Source: Journal of chemical physics. 156(4)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100139642791.0x000001&indx=1&recIds=ETOCvdc_100139642791.0x000001

Scrutinizing individual CoTPP molecule adsorbed on coinage metal surfaces from the interplay of STM experiment and theory

Authors: Houwaart, Torsten, Le Bahers, Tangui, Sautet, Philippe, Auwärter, Willi, Seufert, Knud, Barth, Johannes V., Bocquet, Marie-Laure

Source: In Surface Science May 2015 635:108-114

Depopulation of Single-Phthalocyanine Molecular Orbitals upon Pyrrolic-Hydrogen Abstraction on Graphene

Authors: Néel, Nicolas, Lattelais, Marie, Bocquet, Marie-Laure, Kröger, Jörg

Source: ACS nano. 10(2):2010-2016

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN605209425&indx=1&recIds=ETOCRN605209425

Enhanced interfacial water dissociation on a hydrated iron porphyrin single-atom catalyst in graphene.

Authors: Scalfi, Laura, Becker, Maximilian R., Netz, Roland R., Bocquet, Marie-Laure

Source: Communications Chemistry; 11/2/2023, Vol. 6 Issue 1, p1-9, 9p

Subject Terms: IRON porphyrins, GRAPHENE, CHEMICAL reactions, METALLOPORPHYRINS, MOLECULAR dynamics, ZINC porphyrins, CATALYSTS, IRON catalysts, HETEROGENEOUS catalysis

Structure and chemistry of graphene oxide in liquid water from first principles

Authors: Mouhat, Félix, Coudert, François-Xavier, Bocquet, Marie-Laure

Source: Nature communications. 11(1)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100174623469.0x000001&indx=1&recIds=ETOCvdc_100174623469.0x000001

Reaction of Phthalocyanines with Graphene on Ir(111)

Authors: Altenburg, Simon J., Lattelais, Marie, Wang, Bin, Bocquet, Marie-Laure, Berndt, Richard

Source: Journal of the American Chemical Society. 137(29):9452-9458

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN602227155&indx=1&recIds=ETOCRN602227155

Restoring the Co Magnetic Moments at Interfacial Co-Porphyrin Arrays by Site-Selective Uptake of Iron

Authors: Vijayaraghavan, Saranyan, Auwärter, Willi, Ecija, David, Seufert, Knud, Rusponi, Stefano, Houwaart, Torsten, Sautet, Philippe, Bocquet, Marie-Laure, Thakur, Pardeep, Stepanow, Sebastian

Source: ACS nano. 9(4):3605-3616

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN600982807&indx=1&recIds=ETOCRN600982807