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 …

Electronic and Molecular Structures of the CeB6 Monomer

JL Mason, H Harb, CD Huizenga… - The Journal of …, 2019 - ACS Publications
The electronic and molecular structure of the CeB6 molecular unit has been probed by
anion PE spectroscopy and DFT calculations to gain insight into structural and electronic …

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 …

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 …

Electronic states and transitions of PrO and PrO+ probed by threshold ionization spectroscopy and spin–orbit multiconfiguration perturbation theory

Y Zhang, T Nakamura, L Wu, W Cao… - The Journal of …, 2022 - pubs.aip.org
The precise ionization energy of praseodymium oxide (PrO) seeded in supersonic molecular
beams is measured with mass-analyzed threshold ionization (MATI) spectroscopy. A total of …

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 …

Mechanisms for pressure-induced isostructural phase transitions in EuO

JK Desmarais, A Erba, Y Pan, B Civalleri, JS Tse - Physical Review Letters, 2021 - APS
We study pressure-induced isostructural electronic phase transitions in the prototypical
mixed valence and strongly correlated material EuO using the global-hybrid density …

[HTML][HTML] The electron shuffle: Cerium influences samarium 4f orbital occupancy in heteronuclear Ce–Sm oxide clusters

JO Kafader, JE Topolski, V Marrero-Colon… - The Journal of …, 2017 - pubs.aip.org
The anion photoelectron (PE) spectra along with supporting results of density functional
theory (DFT) calculations on SmO−, SmCeO y−, and Sm 2 O y−(y= 1, 2) are reported and …