Materials Science
Double perovskite halides are emerging as promising materials for a wide range of applications, particularly in renewable energy technologies such as solar cell devices, thereby contributing to addressing global energy demands. In this…
Autonomous electrolyte discovery demands a computational engine that satisfies a critical trilemma: it must be fast enough for high-throughput screening, accurate enough for quantitative property prediction, and calibratable enough for…
Radioluminescent nanostructures provide a pathway to the fabrication of next-generation scintillators with tunability in composition, size, and morphology, and spectral and temporal properties, as well as scalable processing. Here we create…
The advancement of antiferromagnetic spintronics depends on quantum materials with target symmetry-dictated functionalities, however, their systematic discovery is hindered by the immense configurational complexity of the available material…
Altermagnetism has recently emerged as a distinct class of collinear antiferromagnets that break time-reversal symmetry, exhibiting a host of novel properties. Applied strain has attracted particular attention as a key tuning parameter for…
Advanced doping strategies enable oxide ceramic functionalities by tailoring bulk defect chemistry and space-charge-layer (SCL) behavior at interfaces. Charge transition levels (CTLs), defined as the Fermi level at which a defect changes…
Multifunctional materials can exhibit emergent behavior from the coupling of two or more different properties. For example, coupling between magnetic and ferroelectric order enables electrical control of the magnetic state, enabling for…
This study evaluates the dissolution of the supported electrocatalysts Pd/C, PdSn/C, PdNb/C, and PdFe3O4/C during ethanol oxidation reaction for ADLFC applications. A scanning flow cell (SFC) coupled to an inductively coupled mass…
Molybdenum sulfides are in the spotlight of materials science thanks to their interesting properties for applications in optoelectronics, nanocomposites, lubricants, and catalysis. The structural characterization of Molybdenum sulfides is a…
Faster diffusion of cations along grain boundaries is reported in the literature for a variety of acceptor-doped $AB\mathrm{O}_{3}$ perovskite-type oxides. The ratio $r$ of the activation enthalpy of grain-boundary diffusion ($\Delta…
Topological quasiparticles, such as merons and bimerons, are characterized by non-trivial textures that exhibit remarkably robust transport against deformation, offering significant potential for information processing. While these…
Altermagnets have recently garnered significant interest due to their vanishing net magnetic moment and non-relativistic momentum-dependent spin splitting. However, altermagnetic (AM) multiferroics especially triferroics remain scarce. We…
Machine learning force fields (MLFFs) are transforming materials science and engineering by enabling the study of complex phenomena, such as those critical to battery operation. In this work, we explore the predictive capabilities of…
Recently, symmetry-broken ground states, such as correlated insulating states, magnetic order and superconductivity, have been discovered in twisted bilayer graphene (tBLG) and twisted trilayer graphene (tTLG) near the so-called…
The time-reversal symmetry ($\mathcal{T}$) breaking is a signature of ferromagnetism, giving rise to such phenomena as the anomalous Hall effect (AHE) and orbital magnetism. Nevertheless, $\mathcal{T}$ can be also broken in certain classes…
Chiral inorganic crystals, particularly semiconductors with Weyl points near the band edges or semimetals hosting Weyl points at the Fermi level, have attracted considerable interest, yet they remain scarce in existing materials databases.…
Altermagnets with nonrelativistic momentum-dependent spin splitting and compensated net magnetic moments have recently garnered significant interest in spintronics, particularly as pinning layers in magnetic tunnel junctions (MTJs).…
Manipulating carrier density through gate effects, both in electrostatic charge storage and electrochemical intercalation mode, offers powerful control over material properties, although commonly restricted to ultra-thin films or van der…
Realizing Weyl semimetals (WSMs) with the minimal number of Weyl points (WPs) fundamentally simplifies extracting intrinsic topological responses. While a minimum of four conventional ($|C|=1$) WPs in nonmagnetic crystals is…
Resolving the three-dimensional (3D) atomic geometry of free-standing graphene in real time is essential for understanding how intrinsic rippling governs its electronic properties. However, the low electron doses required to mitigate…