Heterogeneous trimetallic nanoparticles as catalysts
JWM Crawley, IE Gow, N Lawes, I Kowalec… - Chemical …, 2022 - ACS Publications
The development and application of trimetallic nanoparticles continues to accelerate rapidly
as a result of advances in materials design, synthetic control, and reaction characterization …
as a result of advances in materials design, synthetic control, and reaction characterization …
Oxygen adsorption in Ag (m)@ X (n)(X= Pd, Pt) core-shell nanoalloys (m+ n= 55), structural and energetic properties: A DFT study
H Yıldırım, H Arslan - Physica B: Condensed Matter, 2024 - Elsevier
The interaction between surface atoms and adsorbates is a major element of the reactivity
and stability of the catalyst. Previous experimental research has indicated potential …
and stability of the catalyst. Previous experimental research has indicated potential …
Poly-icosahedral Co–Fe–Pd nanoalloy: isomerism effect on the structural and magnetic properties from DFT
This study seeks to understand and explain the role of isomerism on the structural and
magnetic properties of Co–Fe–Pd nanoalloys. To this end, semiempirical Gupta potential …
magnetic properties of Co–Fe–Pd nanoalloys. To this end, semiempirical Gupta potential …
The Structural Motif Transformations in 71-atom PtAlCu Nanoalloys: A Combined Atomistic− DFT Study
H Yıldırım, H Arslan - Materials Chemistry and Physics, 2024 - Elsevier
The structural motif transformations are vital for the catalytic performance of nanoalloys. A
growing body of evidence suggests that Pt-based binary and ternary heterogeneous …
growing body of evidence suggests that Pt-based binary and ternary heterogeneous …
The local atomic pressures in 79 atom Pd-Ag-Pt truncated octahedron structure
The best chemical ordering structures of 79-atom trimetallic Pd n Ag (60− n) Pt 19
nanoalloys with truncated octahedron (TO) geometry were optimized and local relaxations …
nanoalloys with truncated octahedron (TO) geometry were optimized and local relaxations …
Melting behavior of Ir-Ag-Au nanoalloys: a molecular dynamic study
ABSTRACT MD simulations have been employed to investigate the melting behaviour of Ir-
Ag-Au nanoalloys with two different systems: Ir43AgnAu12-n (n= 0-12) and some specific …
Ag-Au nanoalloys with two different systems: Ir43AgnAu12-n (n= 0-12) and some specific …
Theoretical insights into the structural and magnetic properties of trimetallic Ni-Co–Rh nanoalloys
In this study, we have investigated structural and magnetic properties of the nanoalloys of
size 38 atoms of compositions Ni32Co6-nRhn and 55 atoms of compositions Ni42Co13 …
size 38 atoms of compositions Ni32Co6-nRhn and 55 atoms of compositions Ni42Co13 …
The chemical ordering and local pressure dependence for truncated octahedron PdAuRh nanoalloys
The optimal chemical ordering configurations of 38-atom trimetallic Pd𝑛Au (32− 𝑛) Rh6
nanoalloys with truncated octahedron (TO) geometry were determined through Monte Carlo …
nanoalloys with truncated octahedron (TO) geometry were determined through Monte Carlo …
Investigation of structural and energetic behavior of 55-atom Pt–Ag–Au ternary nanoalloys
H Yıldırım, AK Garip - International Journal of Modern Physics B, 2021 - World Scientific
A systematic theoretical investigation of structural and energetic behaviors of 55-atom Pt–Ag–
Au ternary nanoalloys has been performed in two different composition systems. We have …
Au ternary nanoalloys has been performed in two different composition systems. We have …
Heating rate effects for the melting transition of Pt–Ag–Au nanoalloys
H Yıldırım, AK Garip - Chinese Physics B, 2021 - iopscience.iop.org
The classical molecular dynamics simulations in canonical NVT ensemble conditions are
used to investigate the melting transition in different heating rates of Pt–Ag–Au ternary …
used to investigate the melting transition in different heating rates of Pt–Ag–Au ternary …