材料科学
Adsorption energy distributions (AEDs) have emerged as a powerful and increasingly adopted descriptor for catalytic performance in high-entropy alloys and, more recently, in conventional metallic alloy nanocrystal catalysts. By accounting…
Over the past decades, two-dimensional crystals have attracted considerable interest as promising materials for electronic and optoelectronic applications. Among them, graphene analogs composed of heavy atoms occupy a particularly…
Disorder and defective coordination in the catalytic plane are crucial for enhancing the Hydrogen Evolution Reaction (HER) on two-dimensional catalysts. Amorphous materials are disordered, making them catalytically adaptive for many…
Dislocation in (011)-oriented $\beta$-Ga$_2$O$_3$ substrates grown by the vertical Bridgman method was investigated using X-ray topography (XRT), combined with X-ray reticulography. Transmission XRT reveals dislocations lying on the (001)…
A major challenge in electrochemistry is to decouple the reactive intermediates of a catalytic cycle to optimise their energies independently. During the oxygen evolution reaction (OER), such energy interdependence results from the need to…
Ferroelectricity, a hallmark of spontaneous inversion-symmetry breaking, has been a central concept in condensed matter physics and functional materials research, yet recent discoveries are revealing that switchable polarization can emerge…
Water adsorption on silicate surfaces is a critical yet poorly understood process relevant to, e.g., mineral weathering and cement hydration. This study investigates the structure of water overlayers on a model calcium silicate, the…
Phase-field simulations provide mechanistic descriptions of microstructure evolution, but repeated high-fidelity integration over long horizons and broad parameter spaces remains computationally expensive. We present PFNet, a…
The fundamental quantity governing the mechanical and thermodynamic properties of a crystalline solid is its electronic charge density. Yet, its direct use for the rapid prediction of materials properties remains challenging due to its high…
Vision-language models (VLMs) have shown strong potential for scientific image understanding, but general-purpose models often lack the domain-specific visual knowledge required for reliable materials characterization. In this work, we…
Autonomous experimentation has transformed microscopy and materials discovery by enabling closed-loop optimization including imaging and spectroscopy tuning, strucutre property relationship discovery, and exploration of combinatorial…
We investigate core/shell GaAs/(Pb,Sn)Te nanowire nanoheterostructures with wurtzite (wz) GaAs cores and (Pb,Sn)Te topological crystalline insulator shells. The nanostructures have been grown by molecular beam epitaxy using two distinct MBE…
Topological semimetals have emerged as an important class of quantum materials with novel electronic responses and unconventional transport phenomena. Among them, nodal-line semimetals are distinguished by band crossings that extend along…
Uranium borides are promising candidate fuel forms for use in advanced nuclear reactors due to their high thermal conductivity and potential for dual use as both fuel and burnable absorber materials. In this work, uranium tetraboride…
ZrTe$_3$ is a prototypical quasi-one-dimensional compound undergoing a charge density wave transition via a very sharp Kohn anomaly in phonon momentum space. While Fermi surface geometry has long been considered the primary driver of the…
Strain and domain engineering offer powerful routes to control phase and domain stability in ferroelectric thin films. While most studies have focused on (100)-oriented growth, the impact of lower-symmetry orientations remains…
X-ray absorption spectroscopy and X-ray magnetic circular dichroism have long served as indispensable tools for probing the electronic and magnetic properties of transition-metal compounds with elemental selectivity. In recent years, the…
Using quasi-simultaneous synchrotron X-ray diffraction and tomography techniques, we have studied in-situ and in real-time the nucleation and co-growth dynamics of the peritectic structures in an Al-Mn alloy during solidification. We…
The dynamics of disordered nuclear spin ensembles are the subject of nuclear magnetic resonance studies. Due to the through-space long-range dipolar interaction generically many spins are involved in the time evolution, so that exact brute…
Deviations from diffusive heat transport in high thermal conductivity crystalline insulators are generally understood within the framework of the phonon Boltzmann Transport Equation. However, for low thermal conductivity materials with…