Publications associées à Murunskite - a new class of functional material

Publications associées (39)

Tuning Electronic and Optical Properties of 2D/3D Interfaces of Hybrid Perovskites through Interfacial Charge Transfer: Prediction of Higher-Efficiency Interface Solar Cells Using Hybrid-DFT Methods

The 2D/3D or 2D/quasi-2D composite mixed-dimensional construction of hybrid perovskite interfaces is gaining increasing attention due to their enhanced stability toward degradation without compromising the corresponding solar cell efficiency. Much of this ...

AMER CHEMICAL SOC2025

Perspective on nonvolatile magnon-signal storage and in-memory computation for low-power consuming magnonics

Arnaud Emile S. Nizet, Dirk Grundler, Andrea Mucchietto, Mingran Xu, Shreyas Sanjay Joglekar

Magnons are the quanta of spin waves and transport angular momenta through magnetically ordered materials. They can be used to distribute and control on-chip GHz signals without charge flow, thereby avoiding Joule heating. Beyond multiplexed signal process ...

AIP Publishing2025

Direct laser writing of electronically conductive microstructures within soft hydrogel substrates

Veronica Navello, Stéphanie Lacour, Esther Amstad, Outman Akouissi, Lorenzo Lucherini

Hydrogels have emerged as promising materials for bioelectronic interfaces due to their tissue-like properties and high-water content. However, conventional hydrogels often suffer from poor electrical conductivity and mechanical stability, limiting their p ...

2025

CementFF4: Formal atomic charge polarizable force field for cementitious systems – Bulk and surface

Tecla Bottinelli Montandon, Karen Scrivener, Paul Bowen, Manuel Cordova, Ziga Casar

A general-purpose formal charge polarizable force field for cementitious systems, CementFF4, is presented. The force field includes the following species: Ca, Si, O, H, Al, Zn, OH− and H2O. The force field is a significant extension of previous force field ...

Pergamon-Elsevier Science Ltd2025

Plasma-activated water retains antimicrobial properties against Escherichia coli after 72 h of storage

Laurens Joachim Balthazar Pipoz, Ivo Furno, Fabio Avino, Rita Agus, Brayden Graham Myers, Aleksandra Lavrikova

Plasma-activated water (PAW) is increasingly recognized for its bactericidal properties. To advance this technology toward practical applications and deepen the understanding of its mechanisms, it is crucial to study the storage stability of PAW, focusing ...

IOP Publishing Ltd2025

Resonant inelastic X-ray scattering tools to count 5 f electrons of actinides and probe bond covalency

Marinella Mazzanti

The actinides possess a complex electronic structure, making their chemical and physical properties among the least understood in the periodic table. Advanced spectroscopic tools, able to obtain deep insights into the electronic structure and binding prope ...

NATURE PORTFOLIO2025

Micromechanics reveal strain rate dependent transition between dislocation mechanisms in a dual phase high entropy alloy

Johann Michler

An equimolar NiCoFeCrGa high entropy alloy having dual-phase composition was studied, where the constituent phases exhibit distinct mechanical properties. Micropillars with various diameters were created from two differently heat treated samples, then they ...

2025

Fluctuation-driven topological Hall effect in room-temperature itinerant helimagnet Fe3Ga4

Arnaud Magrez, Ivica Zivkovic, Priya Ranjan Baral, Youngro Lee

The topological Hall effect (THE) is a hallmark of a non-trivial geometric spin arrangement in a magnetic metal, originating from a finite scalar spin chirality (SSC). The associated Berry phase is often a consequence of non-coplanar magnetic structures id ...

2025

A tale of two codes: CUDA vs OpenACC for mass-zero constrained dynamics

Andrea Cavalli, Sara Bonella, Taylor James Baird

Speed and efficiency of codes for atomistic simulations can be improved through refactoring and tailoring for GPU architectures. This activity, however, comes with associated, often overlooked, costs, namely a reduced readability and flexibility upon optim ...

SAGE PUBLICATIONS LTD2025

Orbital-Resolved DFT plus U for Molecules and Solids

Nicola Marzari, Iurii Timrov

We present an orbital-resolved extension of the Hubbard U correction to density-functional theory (DFT). Compared to the conventional shell-averaged approach, the prediction of energetic, electronic and structural properties is strongly improved, particula ...

Amer Chemical Soc2024

Magnetic structure and magnetoelectric properties of the spin-flop phase in LiFePO4

Paola Caterina Forino, Ellen Fogh, Sofie Janas

We investigate the magnetic structure and magnetoelectric(ME) effect in the high -field phase of the antiferromagnet LiFePO 4 above the critical field of 31 T. A neutron diffraction study in pulsed magnetic fields reveals the propagation vector to be q = 0 ...

Amer Physical Soc2024

Pyroresistive response of percolating conductive polymer composites

Claudio Grimaldi

The pyroresistive response of conductive polymer composites (CPCs) has attracted much interest because of its potential applications in many electronic devices requiring a significant responsiveness to changes in external physical parameters such as temper ...

Amer Physical Soc2024

Frustrated magnets in the limit of infinite dimensions: Dynamics and disorder-free glass transition

Achille Mauri

We study the statistical mechanics and the equilibrium dynamics of a system of classical Heisenberg spins with frustrated interactions on a d -dimensional simple hypercubic lattice, in the limit of infinite dimensionality d -> infinity . In the analysis we ...

Amer Physical Soc2024

Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features

Luciano Andres Abriata

Cupredoxins are widely occurring copper-binding proteins with a typical Greek-key beta barrel fold. They are generally described as electron carriers that rely on a T1 copper centre coordinated by four ligands provided by the folded polypeptide. The discov ...

Royal Soc Chemistry2024

A continuous-wave and pulsed X-band electron spin resonance spectrometer operating in ultra-high vacuum for the study of low dimensional spin ensembles

Giovanni Boero, Fabio Donati, Soyoung Oh

We report the development of a continuous-wave and pulsed X-band electron spin resonance (ESR) spectrometer for the study of spins on ordered surfaces down to cryogenic temperatures. The spectrometer operates in ultra-high vacuum and utilizes a half-wavele ...

Aip Publishing2024

Shortwave Infrared-Sensitive, Narrowband Organic Upconversion Devices with a Gain

Wei-Hsu Hu

Sensing and imaging of light in the shortwave infrared (SWIR) range is increasingly used in various fields, including bio-imaging, remote sensing, and semiconductor process control. SWIR-sensitive organic photodetectors (OPDs) are promising because organic ...

EPFL2024

Exciton migration in two-dimensional materials

Giovanni Consalvo Cistaro

Excitons play an essential role in the optical response of two-dimensional materials. These are bound states showing up in the band gaps of many-body systems and are conceived as quasiparticles formed by an electron and a hole. By performing real-time simu ...

Nature Portfolio2024

Automated all-functionals infrared and Raman spectra

Nicola Marzari, Lorenzo Bastonero

Infrared and Raman spectroscopies are ubiquitous techniques employed in many experimental laboratories, thanks to their fast and non-destructive nature able to capture materials' features as spectroscopic fingerprints. Nevertheless, these measurements freq ...

Nature Portfolio2024

Charge-Transfer States in Organic Nanowires

Lucile Annie Chassat

Charge separation processes in organic semiconductors play a pivotal role in diverse applications ranging from photovoltaics to photocatalysis. Understanding these mechanisms, particularly the role of hybrid charge-transfer (CT) states, is essential for ad ...

EPFL2024

Controlling crystal cleavage in focused ion beam shaped specimens for surface spectroscopy

Philip Johannes Walter Moll, Matthias Carsten Putzke

Our understanding of quantum materials is commonly based on precise determinations of their electronic spectrum by spectroscopic means, most notably angle-resolved photoemission spectroscopy (ARPES) and scanning tunneling microscopy. Both require atomicall ...

Aip Publishing2024