204 citations · 978 across the 32 of their papers we have counts for
4 papers · 1 filter
Mixing thermodynamics and photocatalytic properties of GaP-ZnS solid solutions
Joel Shenoy, Judy N. Hart, Ricardo Grau-Crespo +2
Preparation of solid solutions represents an effective means to improve the photocatalytic properties of semiconductor-based materials. Nevertheless, the effects of site-occupancy…
Electron and phonon interactions and transport in ultra-high-temperature ceramic ZrC
Thomas A. Mellan, Alex Aziz, Yi Xia +2
We have simulated the ultra-high-temperature ceramic zirconium carbide (ZrC) in order to predict electron and phonon scattering properties, including lifetimes and transport. Our p…
The origin of the vanadium dioxide transition entropy
Thomas Ambrose Mellan, Hao Wang, Udo Schwingenschlögl +1
The reversible metal-insulator transition in VO at K has been closely scrutinized yet its thermodynamic origin remains ambiguous. We discuss the origin…
Origin of the monolayer Raman signature in hexagonal boron nitride: a first-principles analysis
Jorge Ontaneda, Anjali Singh, Umesh V. Waghmare +1
Monolayers of hexagonal boron nitride (h-BN) can in principle be identified by a Raman signature, consisting of an upshift in the frequency of the E2g vibrational mode with respect…