116 citations · 219 across the 5 of their papers we have counts for
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Design principles for the energy level tuning in donor/acceptor conjugated polymers
Daniel Hashemi, Xiao Ma, Jinsang Kim +1
To identify reliable molecular design principles for energy level tuning in donor/acceptor conjugated polymers (CPs), we studied the governing factors by means of ab initio calcula…
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…
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…
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…