Seeing the Unseen: The Structural Influence of the Lone Pair Electrons in PbWO4

BG Mullens, FP Marlton, MK Nicholas… - Inorganic …, 2024 - ACS Publications
Pair distribution function (PDF) analysis of the scheelite-type material PbWO4 reveals
previously unidentified short-range structural distortions in the PbO8 polyhedra and WO4 …

Intercalated Water Drives Anomalous Thermal Expansion in the Tetragonal Zircon Structured Bismuth Vanadate BiVO4 Photocatalyst

BG Mullens, FP Marlton, MK Nicholas… - Chemistry–An Asian …, 2024 - Wiley Online Library
The thermal transformation of the tetragonal‐zircon (tz‐) to tetragonal‐scheelite (ts‐) BiVO4
was studied by in situ synchrotron X‐ray diffraction, thermogravimetric analysis, and Fourier …

Exploring Phase Transition and Structural Complexity in the Mixed Cation Uranium Oxide CaUNb2O8

MK Nicholas, Z Zhang, Q Gu, CS Griffith… - Inorganic …, 2024 - ACS Publications
The structures and high-temperature phase transition of CaUNb2O8 were studied in situ
using synchrotron X-ray and neutron powder diffraction. Rietveld refinements provided an …

Toxic, radioactive, and disordered: a total scattering study of TlTcO 4

BG Mullens, FP Marlton, M Saura-Múzquiz… - Physical Chemistry …, 2024 - pubs.rsc.org
A detailed variable temperature neutron total scattering study of the potential nuclear waste
matrix TlTcO4 was conducted. The long-range average structure of TlTcO4 undergoes an …

Lattice dynamics and vibrational properties of scheelite-type alkali-metal perrhenates

S Maddileti, S Mukherjee, A Muñoz… - Journal of Physics …, 2024 - iopscience.iop.org
The present work provides insight into the structural, vibrational, and elastic properties of
scheelite-type alkali-metal perrhenates AReO 4 (A= Na, K, Rb, and Cs) via first-principles …