Computational material discovery is under intense study owing to its ability to explore the
vast space of chemical systems. Neural network potentials (NNPs) have been shown to be …

Among all the computational techniques (Density Functional Theory, Molecular Dynamics,
Monte-Carlo Simulations, Nanothermodynamics) used to investigate the properties of …

Bimetallic nanoparticle catalysts attract extensive attention for relevant catalysis processes
due to their flexible structures, while the structure evolution under specific conditions is …

Over the past few decades, gold-based materials have drawn extensive attention due to
their intriguing physical/chemical properties and excellent performance in a broad range of …

Classical nucleation theory predicts that a binary system which is immiscible in the bulk
should become miscible at the nanoscale when lowering its size below a critical size. Here …

Quantum effects becomes more and more pronounced at the nanoscale. However, the size
where those effects appear strongly depends on the nature of the semiconductor. This paper …

We present a facile organic phase synthesis method for producing multi-branched gold
nanocrystals (nanostars) with a broad localized surface plasmon resonance (LSPR) across …

Characterized by long‐range atomic ordering, well‐defined stoichiometry, and controlled
crystal structure, intermetallics have attracted increasing attention in the area of chemical …

Gas-phase synthesized binary nanoparticles (NPs) possess ultraclean surfaces, which
benefit versatile uses in sensors and catalysts. However, precise control of their …

A library of compositionally and structurally well-defined Au–Cu alloy nanocrystals has been
prepared via scanning probe block copolymer lithography. These libraries not only allow …