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20022025
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

Showing 2022 · cond-mat.mtrl-sciShow all

15 papers · 2 filters

cond-mat.mtrl-sci202222 cited

Redox-controlled conductance of polyoxometalate molecular junctions

Cécile Huez, David Guérin, Stéphane Lenfant +5

We demonstrate the reversible in situ photoreduction of molecular junctions of phosphomolybdate [PMo12O40]3- monolayer self-assembled on flat gold electrodes, connected by the tip…

cond-mat.mtrl-sci202238 cited

Unidirectional orbital magnetoresistance in light metal/ferromagnet bilayers

Shilei Ding, Paul Noël, Gunasheel Kauwtilyaa Krishnaswamy +1

We report the observation of a unidirectional magnetoresistance (UMR) that originates from the nonequilibrium orbital momentum induced by an electric current in a naturally oxidize…

cond-mat.mtrl-sci20225 cited

Surface Vacancy Generation by STM Tunneling Electrons in the Presence of Indigo Molecules on Cu(111)

Carlos Javier Villagómez, Fernando Buendía, Lauro Oliver Paz-Borbón +3

Herein, we invesgate the consequence of local voltage pulses on the adsorption state of single indigo molecules on the Cu(111) surface as well as on the atomic structure underneath…

cond-mat.mtrl-sci2022105 cited

Diamond surface engineering for molecular sensing with nitrogen-vacancy centers

Erika Janitz, Konstantin Herb, Laura A. Völker +3

Quantum sensing using optically addressable atomic-scale defects, such as the nitrogen--vacancy (NV) center in diamond, provides new opportunities for sensitive and highly localize…

cond-mat.mtrl-sci20225 cited

An Atomistic Modelling Framework for Valence Change Memory Cells

Manasa Kaniselvan, Mathieu Luisier, Marko Mladenović

We present a framework dedicated to modelling the resistive switching operation of Valence Change Memory (VCM) cells. The method combines an atomistic description of the device str…

cond-mat.mtrl-sci20229 cited

Molecular encapsulation from the liquid phase and graphene nanoribbon growth in carbon nanotubes

Ana Cadena, Bea Botka, Áron Pekker +5

Growing graphene nanoribbons from small organic molecules encapsulated in carbon nanotubes can result in products with uniform width and chirality. We propose a method based on enc…