[HTML][HTML] CO oxidation activity of Pt/CeO2 catalysts below 0° C: platinum loading effects

AI Boronin, EM Slavinskaya, A Figueroba… - Applied Catalysis B …, 2021 - Elsevier
Reducing the operating temperature of oxidation catalysts is important for designing energy
efficient processes, extending catalyst lifetime, and abating pollutants, especially in cold …

Exceptionally complex electronic structures of lanthanide oxides and small molecules

JL Mason, H Harb, JE Topolski… - Accounts of Chemical …, 2019 - ACS Publications
Conspectus Lanthanide (Ln) oxide clusters and molecular systems provide a bottom-up look
at the electronic structures of the bulk materials because of close parallels in the patterns of …

Electronic Structure of Heteronuclear Cerium-Platinum Clusters

JL Mason, CD Huizenga, M Ray… - The Journal of …, 2023 - ACS Publications
Beyond the now well-known strong catalyst-support interactions reported for ceria-supported
platinum catalysts, intermetallic Ce-Pt compounds exhibit fascinating properties such as …

More than little fragments of matter: Electronic and molecular structures of clusters

JL Mason, CN Folluo, CC Jarrold - The Journal of Chemical Physics, 2021 - pubs.aip.org
Small clusters have captured the imaginations of experimentalists and theorists alike for
decades. In addition to providing insight into the evolution of properties between the atomic …

Photoelectron Spectra of Gd2O2 and Nonmonotonic Photon-Energy-Dependent Variations in Populations of Close-Lying Neutral States

JL Mason, H Harb, AA Taka, AJ McMahon… - The Journal of …, 2021 - ACS Publications
Photoelectron spectra of Gd2O2–obtained with photon energies ranging from 2.033 to 3.495
eV exhibit numerous close-lying neutral states with photon-energy-dependent relative …

A hybrid-DFT investigation of the Ce oxidation state upon adsorption of F, Na, Ni, Pd and Pt on the (CeO 2) 6 cluster

MS Ozorio, KF Andriani, JLF Da Silva - Physical Chemistry Chemical …, 2020 - pubs.rsc.org
The formation of small polarons in CeO2− x compounds has been investigated mainly on
solids, compact surfaces, and large nanoparticles. However, those findings cannot be easily …

Spin–orbit coupling of electrons on separate lanthanide atoms of Pr2O2 and its singly charged cation

T Nakamura, BB Dangi, L Wu, Y Zhang… - The Journal of …, 2023 - pubs.aip.org
Although it plays a critical role in the photophysics and catalysis of lanthanides, spin–orbit
coupling of electrons on individual lanthanide atoms in small clusters is not well understood …

Lanthanide oxides: From diatomics to high-spin, strongly correlated homo-and heterometallic clusters

C Huizenga, HP Hratchian… - The Journal of Physical …, 2021 - ACS Publications
Small lanthanide (Ln) oxide clusters present both experimental and theoretical challenges
because of their partially filled, core-like 4f n orbitals, a feature that results in a plethora of …

Using anion photoelectron spectroscopy of cluster models to gain insights into mechanisms of catalyst-mediated H 2 production from water

AJ McMahon, CC Jarrold - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
Metal oxide cluster models of catalyst materials offer a powerful platform for probing the
molecular-scale features and interactions that govern catalysis. This perspective gives an …

Elucidating cerium+ H2O reactivity through electronic structure: A combined PES and DFT study

JE Topolski, JO Kafader, M Ray, CC Jarrold - Journal of Molecular …, 2017 - Elsevier
The anion photoelectron (PE) spectra of Ce x O y H z− products formed in sequential
reactions between cerium oxide and hydroxide reactions with water are presented and …