157 citations · 478 across the 13 of their papers we have counts for
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Atomistic mechanisms of binary alloy surface segregation from nanoseconds to seconds using accelerated dynamics
Richard B. Garza, Jiyoung Lee, Mai H. Nguyen +6
Although the equilibrium composition of many alloy surfaces is well understood, the rate of transient surface segregation during annealing is not known, despite its crucial effect…
Revisiting Trends in the Exchange Current for Hydrogen Evolution
Timothy T. Yang, Rituja B. Patil, James R. McKone +1
Nørskov and collaborators proposed a simple kinetic model to explain the volcano relation for the hydrogen evolution reaction on transition metal surfaces in such that $ j_0= k_0 f…
Optimization of High Entropy Alloy Catalyst for Ammonia Decomposition and Ammonia Synthesis
Wissam A. Saidi, Waseem Shadid, Götz Veser
The successful synthesis of high entropy alloy (HEA) nanoparticles, a long-sought goal in materials science, opens a new frontier in materials science with applications across cata…
Thermal fluctuations and carrier localization induced by dynamic disorder in MAPbI3 described by a first-principles based tight-binding model
David J. Abramovitch, Wissam A. Saidi, Liang Z. Tan
Halide perovskites are strongly influenced by large amplitude anharmonic lattice fluctuations at room temperature. We develop a tight binding model for dynamically disordered MAPbI…
First-Principles Phonon Quasiparticle Theory Applied to a Strongly Anharmonic Halide Perovskite
Terumasa Tadano, Wissam A. Saidi
Understanding and predicting lattice dynamics in strongly anharmonic crystals is one of the long-standing challenges in condensed matter physics. Here we propose a first-principles…