3 papers
cond-mat.mes-hall2017
Effect of Long-Range Dielectric Screening on Charge Transfer States
Michael J. Waters, Daniel Hashemi, John Kieffer
Exciton dissociation at heterojunctions in photovoltaic devices is not completely understood despite being fundamentally necessary to generate electrical current. One of the fundam…
cond-mat.mtrl-sci2017
Semiclassical Model for Calculating Exciton and Polaron Pair Energetics at Interfaces
Michael J. Waters, Daniel Hashemi, John Kieffer
Exciton and polaron pair dissociation is a key functional aspect of photovoltaic devices. To improve upon the current state of interfacial transport models, we augment the existing…
cond-mat.mtrl-sci2017
Predictive Simulations for Tuning Electronic and Optical Properties of SubPc Derivatives
Michael J. Waters, Daniel Hashemi, Guangsha Shi +2
Boron subphthalocyanine chloride is an electron donor material used in small molecule organic photovoltaics with an unusually large molecular dipole moment. Using first-principles…