The platinum hydride cluster PtH is studied in gas phase by a combination of trapped ion electron diffraction and density functional theory computations. We find a cuboctahedral platinum cage with bridge bound hydrogen atoms. This unusual structure is stabilized by Pt-H-Pt multicenter bonds and shows characteristics of spherical aromaticity.
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http://dx.doi.org/10.1002/cphc.202400649 | DOI Listing |
Chemphyschem
December 2024
Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Kaiserstraße 12, 76131, Karlsruhe, Germany.
The platinum hydride cluster PtH is studied in gas phase by a combination of trapped ion electron diffraction and density functional theory computations. We find a cuboctahedral platinum cage with bridge bound hydrogen atoms. This unusual structure is stabilized by Pt-H-Pt multicenter bonds and shows characteristics of spherical aromaticity.
View Article and Find Full Text PDFDalton Trans
February 2024
Department of Chemistry, University of Georgia, Athens, Georgia 30602, USA.
Silver and copper clusters capped by external chelating dithiolate ligands can be classified according to the cavities in their central coinage metal polyhedra. Silver clusters composed exclusively of fused tetrahedra are analogous to simple saturated organic compounds. The only interstitial atom that can be fit into an Ag tetrahedron is hydrogen.
View Article and Find Full Text PDFPhys Chem Chem Phys
June 2023
Institute of Nuclear Physics, Polish Academy of Sciences, Radzikowskiego 152, 31-342 Cracow, Poland.
Thermodynamical stability of different variants of FePt nanoparticles has been studied using DFT molecular dynamics. The melting temperature and general stability at elevated temperatures have been estimated from both energy difference and atomic root-mean-square displacement functions. The investigated systems include multi-shell nanoparticles of iron and platinum with icosahedral symmetry and a magic number of atoms (55): iron-terminated FePt and platinum-terminated FePt.
View Article and Find Full Text PDFACS Nano
December 2022
Department of Chemistry, Sungkyunkwan University (SKKU), Suwon 16419, Republic of Korea.
In this paper, we demonstrate the synthesis of morphologically complex nanoframes wherein a mixture of frames and thin solid planes, which we refer to as walled-nanoframes, are present in a single particle. By applying multiple chemical steps including shape evolution of Au nanocrystals and controlling chemical potential of solution for selective deposition, we successfully designed a variety of Pt nanoframes including Pt cuboctahedral nanoframes and Pt single-walled nanoframes. The rationale for on-demand chemical steps with well-faceted Au overgrowth allowed for the synthesis of double-walled nanoframes where two Pt single-walled nanoframes are concentrically overlapped in a single entity with a clearly discernible gap between the two nanoframes.
View Article and Find Full Text PDFSmall
February 2020
Institute of Electrochemistry, Ulm University, Albert-Einstein-Allee 47, 89081, Ulm, Germany.
Improved understanding of the fundamental processes leading to degradation of platinum nanoparticle electrocatalysts is essential to the continued advancement of their catalytic activity and stability. To this end, the oxidation of platinum nanoparticles is simulated using a ReaxFF reactive force field within a grand-canonical Monte Carlo scheme. 2-4 nm cuboctahedral particles serve as model systems, for which electrochemical potential-dependent phase diagrams are constructed from the thermodynamically most stable oxide structures, including solvation and thermochemical contributions.
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