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 …

[HTML][HTML] Molecular and electronic structures of cerium and cerium suboxide clusters

JO Kafader, JE Topolski, CC Jarrold - The Journal of Chemical Physics, 2016 - pubs.aip.org
The anion photoelectron (PE) spectra of Ce 2 O y−(y= 1, 2), Ce 3 O y−(y= 0–4), Ce 4 O y−(y=
0–2), and Ce 5 O y−(y= 1, 2) are reported and analyzed with supporting results from density …

The striking influence of oxophilicity differences in heterometallic Mo–Mn oxide cluster reactions with water

JL Mason, AK Gupta, AJ McMahon… - The Journal of …, 2020 - pubs.aip.org
Mixed-metal oxides have proven to be effective catalysts for the hydrogen evolution reaction,
often outperforming either of the binary metal oxides. The reactivity of Mn x MoO y−(x= 1, 2; …

New Photoelectron–Valence Electron Interactions Evident in the Photoelectron Spectrum of Gd2O

JL Mason, H Harb, A Abou Taka… - The Journal of …, 2021 - ACS Publications
Evidence of strong photoelectron–valence electron (PEVE) interactions has been observed
in the anion photoelectron (PE) spectra of several lanthanide suboxide clusters, which are …

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 …

Hydrogen evolution from water reactions with molybdenum sulfide cluster anions

JE Topolski, AK Gupta, KA Nickson… - International Journal of …, 2018 - Elsevier
A study of reactions between a distribution of 98 Mo x S y-clusters ranging from sub-sulfide
(x∼ y) to hypersulfide (y> 2x) is presented, compared with previous studies on homologous …

[HTML][HTML] Mixed cerium-platinum oxides: Electronic structure of [CeO] Ptn (n= 1, 2) and [CeO2] Pt complex anions and neutrals

M Ray, JO Kafader, JE Topolski… - The Journal of Chemical …, 2016 - pubs.aip.org
The electronic structures of several small Ce–Pt oxide complexes were explored using a
combination of anion photoelectron (PE) spectroscopy and density functional theory …

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 …