There's no place like real-space: elucidating size-dependent atomic structure of nanomaterials using pair distribution function analysis

TL Christiansen, SR Cooper, KMØ Jensen - Nanoscale Advances, 2020 - pubs.rsc.org
The development of new functional materials builds on an understanding of the intricate
relationship between material structure and properties, and structural characterization is a …

Surface partial-charge-tuned enhancement of catalytic activity of platinum nanocatalysts for toluene oxidation

A Lu, H Sun, N Zhang, L Che, S Shan, J Luo… - ACS …, 2019 - ACS Publications
The ability to tune the surface partial charge of noble metal catalysts at the nanoscale size
dimension is essential for harnessing the activity of nanocatalysts in many important …

Deciphering the structure of heterogeneous catalysts across scales using pair distribution function analysis

NK Zimmerli, CR Müller, PM Abdala - Trends in Chemistry, 2022 - cell.com
Heterogeneous catalysts are complex materials, often containing multiple atomic species
and phases with various degrees of structural order. The identification of structure …

Method for simultaneous prediction of atomic structure and stability of nanoclusters in a wide area of compositions

SV Lepeshkin, VS Baturin, YA Uspenskii… - The journal of …, 2018 - ACS Publications
We present a universal method for the large-scale prediction of the atomic structure of
clusters. Our algorithm performs the joint evolutionary search for all clusters in a given area …

Monitoring the Structural Changes in Iridium Nanoparticles during Oxygen Evolution Electrocatalysis with Operando X-ray Total Scattering

RK Pittkowski, S Punke, AS Anker… - Journal of the …, 2024 - ACS Publications
Understanding the structure of nanoparticles under (electro) catalytic operating conditions is
crucial for uncovering structure–property relationships. By combining operando X-ray total …

Lattice strain and surface activity of ternary nanoalloys under the propane oxidation condition

H Kareem, Y Maswadeh, ZP Wu, AC Leff… - … Applied Materials & …, 2022 - ACS Publications
The ability to harness the catalytic oxidation of hydrocarbons is critical for both clean energy
production and air pollutant elimination, which requires a detailed understanding of the …

Catalytic oxidation of propane over palladium alloyed with gold: an assessment of the chemical and intermediate species

H Kareem, S Shan, ZP Wu, L Velasco… - Catalysis Science & …, 2018 - pubs.rsc.org
Understanding the catalytic oxidation of propane is important for develo** catalysts not
only for catalytic oxidation of hydrocarbons in emission systems but also for selective …

[HTML][HTML] Low Pt alloyed nanostructures for fuel cells catalysts

S Huang, A Shan, R Wang - Catalysts, 2018 - mdpi.com
Low-noble metal electrocatalysts are attracting massive attention for anode and cathode
reactions in fuel cells. Pt transition metal alloy nanostructures have demonstrated their …

A multimodal analytical toolkit to resolve correlated reaction pathways: the case of nanoparticle formation in zeolites

D O'Nolan, H Zhao, Z Chen, A Grenier… - Chemical …, 2021 - pubs.rsc.org
Unraveling the complex, competing pathways that can govern reactions in multicomponent
systems is an experimental and technical challenge. We outline and apply a novel analytical …

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 …