output
20092026
most citedReal-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

536 citations

Showing cond-mat.mtrl-sciShow all

19 papers · 1 filter

cond-mat.mtrl-sci2025★ 6 cited

Direct Visualization of Temperature-Induced Phase Separation of Completely Miscible Au-Pd Alloy by In-Situ TEM

Abhijit Roy, Simon Hettler, Raul Arenal

In-situ transmission electron microscopy (TEM) studies reveal key insights into the structural and chemical evolution of nanoparticles (NPs) under external stimuli like heating and…

cond-mat.mtrl-sci2025★ 77 cited

Advanced Spectroscopic Analyses on a:C-H Materials: Revisiting the EELS Characterization and its Coupling with multi-wavelength Raman Spectroscopy

L. Lajaunie, C. Pardanaud, C. Martin +4

Hydrogenated amorphous carbon thin films (a:C-H) are very promising materials for numerous applications. The growing of relevance of a:C-H is mainly due to the long-term stability…

cond-mat.mtrl-sci2025★ 2 cited

Galvanic intercalation of molecular cations into van der Waals materials

Daniel Tezze, Covadonga Álvarez-García, Daniel Margineda +17

The intercalation of molecular species between the layers of van der Waals (vdW) crystals is a powerful approach to combine the remarkable physical properties of vdW materials with…

cond-mat.mtrl-sci2023★ 9 cited

Stable CoO Nanoscrolls With Outstanding Electrical Properties

Simon Hettler, Kankona Singha Roy, Raul Arenal +1

Layered CoO is of great interest for its promising properties but is meta-stable in its bulk form. CoO was synthesized by converting the quasi-one-dimensional crystal struc…

cond-mat.mtrl-sci2023★ 14 cited

Molybdenum diselenide-manganese porphyrin bifunctional electrocatalyst for hydrogen evolution reaction and selective hydrogen peroxide production

Antonia Kagkoura, Christina Stangel, Raul Arenal +1

Electrochemical reactions for hydrogen and hydrogen peroxide production are essential for energy conversion to diminish energy crisis, but still lack efficient electrocatalysts. De…

cond-mat.mtrl-sci2023★ 44 cited

Crystalline Phase Effects on the Nonlinear Optical Response of MoS2 and WS2 Nanosheets

Michalis Stavrou, Nikolaos Chazapis, Eleni Nikoli +3

In the present work, some MoS2 and WS2 nanosheets were prepared and characterized. Depending on the preparation procedures, trigonal prismatic (2H) or octahedral (1T) coordination…

cond-mat.mtrl-sci2023★ 4 cited

Optimizing Floquet engineering for non-equilibrium steady states with gradient-based methods

Alberto Castro, Shunsuke A. Sato

Non-equilibrium steady states are created when a periodically driven quantum system is also incoherently interacting with an environment -- as it is the case in most realistic situ…

cond-mat.mtrl-sci2022★ 22 cited

Catalysts for the hydrogen evolution reaction in alkaline medium: Configuring a cooperative mechanism at the Ag-AgS-MoS interface

Avraham Bar-Hen, Simon Hettler, Ashwin Ramasubramaniam +3

Designing electrocatalysts for HER in alkaline conditions to overcome the sluggish kinetics associated with the additional water dissociation step is a recognized challenge in prom…

cond-mat.mtrl-sci2022★ 20 cited

A Detailed Investigation of the Onion Structure of Exchanged Coupled Magnetic Fe(3-delta)O4@CoFe2O4@Fe(3-delta)O4 Nanoparticles

Kevin Sartori, Anamaria Musat, Fadi Choueikani +7

Nanoparticles (NPs) which combine several magnetic phases offer wide perspectives for cutting edge applications because of the high modularity of their magnetic properties. Besides…

cond-mat.mtrl-sci2021★ 65 cited

Detailed thermal reduction analyses of Graphene Oxide via in-situ TEM/EELS studies

M. Pelaez-Fernandez, A. Bermejo, A. M. Benito +2

We report an in-depth study of the reduction of graphene oxide (GO) by in-situ thermal transmission electron microscopy (TEM) analysis. In-situ heating high-resolution TEM (HRTEM)…

cond-mat.mtrl-sci2018★ 64 cited

Weakly Trapped, Charged, and Free Excitons in Single-Layer MoS2 in the Presence of Defects, Strain, and Charged Impurities

Sudipta Dubey, Simone Lisi, Goutham Nayak +17

Few- and single-layer MoS2 host substantial densities of defects. They are thought to influence the doping level, the crystal structure, and the binding of electron-hole pairs. We…

cond-mat.mtrl-sci2017★ 36 cited

Oxygen vacancies in strained SrTiO thin films: formation enthalpy and manipulation

L. Iglesias, A. Sarantopoulos, C. Magen +1

We report the enthalpy of oxygen vacancy formation in thin films of electron-doped SrTiO, under different degrees of epitaxial stress. We demonstrate that both compressive an…

cond-mat.mtrl-sci2017★ 1 cited

On the nature of the (de)coupling of the magnetostructural transition in ErSi

Rui M. Costa, João H. Belo, Marcelo B. Barbosa +9

In this report, a successful thermodynamical model was employed to understand the structural transition in ErSi, able to explain the decoupling of the magnetic and structur…

cond-mat.mtrl-sci2016★ 106 cited

A scalable architecture for quantum computation with molecular nanomagnets

M. D. Jenkins, D. Zueco, O. Roubeau +3

A proposal for a magnetic quantum processor that consists of individual molecular spins coupled to superconducting coplanar resonators and transmission lines is carefully examined.…

cond-mat.mtrl-sci2016★ 56 cited

Oxidation-assisted graphene heteroepitaxy on copper foil

Nicolas Reckinger, Xiaohui Tang, Frédéric Joucken +6

We propose an innovative, easy-to-implement approach to synthesize large-area singlecrystalline graphene sheets by chemical vapor deposition on copper foil. This method doubly take…

cond-mat.mtrl-sci2015★ 30 cited

Electron degeneracy and intrinsic magnetic properties of epitaxial Nb:SrTiO thin-films controlled by defects

A. Sarantopoulos, E. Ferreiro-Vila, V. Pardo +3

We report thermoelectric power experiments in e-doped thin films of SrTiO (STO) which demonstrate that the electronic band degeneracy can be lifted through defect management du…

cond-mat.mtrl-sci2015★ 95 cited

Observation of huge thermal spin currents in magnetic multilayers

R. Ramos, T. Kikkawa, M. H. Aguirre +11

Thermal spin pumping constitutes a novel mechanism for generation of spin currents; however their weak intensity constitutes a major roadblock for its usefulness. We report a pheno…

cond-mat.mtrl-sci2014★ 25 cited

Screening of the quantum-confined Stark effect in AlN/GaN nanowire superlattices by Germanium doping

P. Hille, J. Müßener, P. Becker +8

We report on electrostatic screening of polarization-induced internal electric fields in AlN/GaN nanowire heterostructures with Germanium-doped GaN nanodiscs embedded between AlN b…

cond-mat.mtrl-sci2014★ 125 cited

Atomic Configuration of Nitrogen Doped Single-Walled Carbon Nanotubes

Raul Arenal, Katia March, Chris P. Ewels +4

Having access to the chemical environment at the atomic level of a dopant in a nanostructure is crucial for the understanding of its properties. We have performed atomically-resolv…