30 citations · 153 across the 7 of their papers we have counts for
8 papers
Molecular interpretability of the bulk electrochemical impedance of concentrated electrolytes
Connie J. Fairchild, Stephen J. Cox, Benjamin Rotenberg +1
Electrochemical impedance spectroscopy (EIS) is a widely used technique to understand time-dependent response and relaxation under applied voltage. While these spectra contain a we…
Trion formation resolves observed peak shifts in the optical spectra of transition metal dichalcogenides
Thomas Sayer, Yusef R. Farah, Rachelle Austin +3
Monolayer transition metal dichalcogenides (TMDs) have the potential to unlock novel photonic and chemical technologies if their optoelectronic properties can be understood and con…
Hot carrier extraction from 2D semiconductor photoelectrodes
Rachelle Austin, Yusef Farah, Thomas Sayer +4
Hot carrier-based energy conversion systems could double the efficiency of conventional solar energy technology or drive photochemical reactions that would not be possible using fu…
Compact and complete description of non-Markovian dynamics
Thomas Sayer, Andrés Montoya-Castillo
Generalized master equations provide a theoretically rigorous framework to capture the dynamics of processes ranging from energy harvesting in plants and photovoltaic devices, to q…
Macroscopic surface charges from microscopic simulations
Thomas Sayer, Stephen J. Cox
Attaining accurate average structural properties in a molecular simulation should be considered a prerequisite if one aims to elicit meaningful insights into a system's behavior. F…
Stabilization of AgI's polar surfaces by the aqueous environment, and its implications for ice formation
Thomas Sayer, Stephen J. Cox
Silver iodide is one of the most potent inorganic ice nucleating particles known, a feature generally attributed to the excellent lattice match between its basal Ag-(0001) and I-(0…
Finite electric displacement simulations of polar ionic solid-electrolyte interfaces: Application to NaCl(111)/aqueous NaCl solution
Thomas Sayer, Michiel Sprik, Chao Zhang
Tasker type III polar terminations of ionic crystals carry a net surface charge as well as a dipole moment and are fundamentally unstable. In contact with electrolytes, such polar…
Charge compensation at the interface between the polar NaCl(111) surface and a NaCl aqueous solution
Thomas Sayer, Chao Zhang, Michiel Sprik
Periodic supercell models of electric double layers formed at the interface between a charged surface and an electrolyte are subject to serious finite size errors and require certa…