Stabilization of unprecedented crystal phases of metal nanomaterials
K Matsumoto, R Sato, T Teranishi - Trends in Chemistry, 2023 - cell.com
Metal nanomaterials (NMs) have attracted much attention from both scientific and practical
perspectives. Because the crystal structure of metal NMs is a crucial factor in determining …
perspectives. Because the crystal structure of metal NMs is a crucial factor in determining …
Quantitative 3D Characterization of Functionally Relevant Parameters in Heavy-Oxide-Supported 4d Metal Nanocatalysts
J Marqueses-Rodríguez, R Manzorro… - Chemistry of …, 2023 - ACS Publications
Accurate 3D nanometrology of catalysts with small nanometer-sized particles of light 3d or
4d metals supported on high-atomic-number oxides is crucial for understanding their …
4d metals supported on high-atomic-number oxides is crucial for understanding their …
Structural, Ordering, and Magnetic Properties of PtNi Nanoalloys Explored by Density Functional Theory and Stability Descriptors
JEM Cardona, A Salichon, N Tarrat… - The Journal of …, 2023 - ACS Publications
Monometallic platinum and nickel nanoparticles and platinum–nickel nanoalloys are
examined in the range 13–976 atoms from density functional theory calculations. A large set …
examined in the range 13–976 atoms from density functional theory calculations. A large set …
An Enhanced Sampling Approach for Computing the Free Energy of Solid Surface and Solid–Liquid Interface
Free energies of a solid surface and a solid–liquid interface play significant roles in
thermodynamics. Due to the limited availability of experimental data, computational methods …
thermodynamics. Due to the limited availability of experimental data, computational methods …
Tuning elastic properties of metallic nanoparticles by shape controlling: from atomistic to continuous models
M Erbì, H Amara, R Gatti - Small, 2023 - Wiley Online Library
Understanding and mastering the mechanical properties of metallic nanoparticles is crucial
for their use in a wide range of applications. In this context, atomic‐scale (molecular …
for their use in a wide range of applications. In this context, atomic‐scale (molecular …
Size effect on the structural and magnetic phase transformations of iron nanoparticles
Iron nanoparticles are among the most promising low-dimensional materials in terms of
applications. This particularity is attributable to the magnetic properties of these …
applications. This particularity is attributable to the magnetic properties of these …
Intermetallics with sp-d orbital hybridization: morphologies, stabilities and work functions of In-Pd particles at the nanoscale
The field of intermetallic catalysts, alloying a p-block and a transition metal to form a pM-TM
bimetallic, is experiencing robust growth, emerging as a vibrant frontier in catalysis research …
bimetallic, is experiencing robust growth, emerging as a vibrant frontier in catalysis research …
Atomic-Scale Surface Segregation in Copper-Gold Nanoparticles
We combine electron microscopy measurements of the surface compositions in Cu-Au
nanoparticles and atomistic simulations to investigate the effect of gold segregation. While …
nanoparticles and atomistic simulations to investigate the effect of gold segregation. While …
Melting properties of Ag x Pt 1− x nanoparticles
At the nanoscale, materials exhibit unique properties that differ greatly from those of the bulk
state. In the case of AgxPt1− x nanoalloys, we aimed to study the solid–liquid transition of …
state. In the case of AgxPt1− x nanoalloys, we aimed to study the solid–liquid transition of …
Nanocrystalline surface energy studied within the Gibbs thermodynamic framework
MN Magomedov - Physical Review B, 2024 - APS
In the equilibrium thermodynamics framework, expressions were obtained that determine
the dependences of the specific surface energy σ and surface pressure PS f on the size (N) …
the dependences of the specific surface energy σ and surface pressure PS f on the size (N) …