Grain boundaries improve hydrogen storage in Palladium hollow nanoparticles

J López, W Schmidth, F Roco, W Soto… - International Journal of …, 2024 - Elsevier
Abstract Monte Carlo and Molecular Dynamics simulations were employed to explore the
enhanced hydrogen storage capabilities of palladium nanospheres with grain boundaries. It …

Mechanical properties obtained by indentation of hollow pd nanoparticles

FJ Valencia, RI González, H Vega… - The Journal of …, 2018 - ACS Publications
Palladium nanoparticles are technologically important for catalysis, hydrogen storage, and
many other applications. Here, we investigate the mechanical properties of Pd hollow …

Nanoindentation of polycrystalline Pd hollow nanoparticles: Grain size role

FJ Valencia, B Pinto, M Kiwi, CJ Ruestes… - Computational Materials …, 2020 - Elsevier
Polycrystalline hollow nanoparticles present a unique combination of strength and flexibility.
However, the exact role displayed by their grain structure in mechanical properties has not …

Probing the mechanical properties of porous nanoshells by nanoindentation

FJ Valencia, V Aurora, M Ramírez, CJ Ruestes… - Nanomaterials, 2022 - mdpi.com
In this contribution, we present a study of the mechanical properties of porous nanoshells
measured with a nanoindentation technique. Porous nanoshells with hollow designs can …

Thermal stability of hollow porous gold nanoparticles: A molecular dynamics study

FJ Valencia, M Ramírez, A Varas… - Journal of Chemical …, 2020 - ACS Publications
Hollow nanoparticle structures play a major role in nanotechnology and nanoscience since
their surface to volume ratio is significantly larger than that of filled ones. While porous …

Understanding the stability of hollow nanoparticles with polycrystalline shells

FJ Valencia, M Ramírez, A Varas… - The Journal of Physical …, 2020 - ACS Publications
The existence of polycrystalline shells has been widely reported in the synthesis of hollow
nanoparticles; however, the exact role displayed by the grain boundaries on the stability has …

Thermal Sensitivity on Eccentric Gold Hollow Nanoparticles: A Perspective from Atomistic Simulations

FJ Valencia, M Ramírez, A Varas… - Journal of Chemical …, 2021 - ACS Publications
Eccentricity is a common feature consequence of several synthesis protocols of hollow
nanoshells. Despite the crescent interest in these nanoparticles, it is still unclear how an …

Highly porous tungsten for plasma-facing applications in nuclear fusion power plants: a computational analysis of hollow nanoparticles

P Díaz-Rodríguez, F Munoz, J Rogan… - Nuclear …, 2020 - iopscience.iop.org
Plasma-facing materials (PFMs) for nuclear fusion, either in inertial confinement fusion (ICF)
or in magnetic confinement fusion (MCF) approaches, must withstand extremely hostile …

Polycrystalline Ni nanotubes under compression: a molecular dynamics study

J Rojas-Nunez, SE Baltazar, RI Gonzalez… - Scientific Reports, 2020 - nature.com
Mechanical properties of nanomaterials, such as nanowires and nanotubes, are an
important feature for the design of novel electromechanical nano-architectures. Since grain …

Thermal and environmental effects on Pt-based hollow nanospheres catalysts: insights from in-situ and operando TEM

J Rezkallah - 2023 - theses.hal.science
Heterogeneous catalysis plays a crucial role in enhancing the efficiency, sustainability and
cost-effectiveness of chemical reactions. The use of metal nanoparticles in heterogeneous …