87 citations · 510 across the 26 of their papers we have counts for
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Surface hopping simulations show valley depolarization driven by exciton-phonon resonance
Alex Krotz, Roel Tempelaar
Resonances between excitonic transitions and nuclear coordinates have been shown to drive a variety of excited-state dynamical phenomena in molecular systems. Here, we report mixed…
Mixed quantum-classical modeling of exciton-phonon scattering in solids: Application to optical linewidths of monolayer MoS2
Alex Krotz, Roel Tempelaar
We present a mixed quantum-classical framework for the microscopic and non-Markovian modeling of exciton-phonon scattering in solid-state materials, and apply it to calculate the o…
Microscopic theory of cavity-confined monolayer semiconductors: polariton-induced valley relaxation and the prospect of enhancing and controlling the valley pseudospin by chiral strong coupling
Andrew Salij, Roel Tempelaar
We apply a microscopic theory of exciton-polaritons in cavity-confined monolayer transition-metal dichalcogenides including both optical polarizations in the monolayer plane, allow…
Acene:spacer blends show exothermic singlet fission to proceed coherently, while endothermic fission proceeds incoherently
Clemens Zeiser, Chad Cruz, David R Reichman +6
The fission of singlet excitons into triplet pairs in organic materials holds great technological promise, but the rational application of this phenomenon is hampered by a lack of…
Many-Body Simulation of Two-Dimensional Electronic Spectroscopy of Excitons and Trions in Monolayer Transition-Metal Dichalcogenides
Roel Tempelaar, Timothy C. Berkelbach
We present a many-body formalism for the simulation of time-resolved nonlinear spectroscopy and apply it to study the coherent interaction between excitons and trions in doped tran…
Vibronic exciton theory of singlet fission. III. How vibronic coupling and thermodynamics promote rapid triplet generation in pentacene crystals
Roel Tempelaar, David R. Reichman
We extend the vibronic exciton theory introduced in our previous work to study singlet fission dynamics, in particular addressing recent indications of the importance of vibronic c…
Exciton-Exciton Annihilation Is Coherently Suppressed in H-Aggregates, but Not in J-Aggregates
Roel Tempelaar, Thomas L. C. Jansen, Jasper Knoester
We theoretically demonstrate a strong dependence of the annihilation rate between (singlet) excitons on the sign of dipole-dipole couplings between molecules. For molecular H-aggre…
Vibronic exciton theory of singlet fission. II. Two-dimensional spectroscopic detection of the correlated triplet pair state
Roel Tempelaar, David R. Reichman
Singlet fission, the molecular process through which photons are effectively converted into pairs of lower energy triplet excitons, holds promise as a means of boosting photovoltai…
Vibronic exciton theory of singlet fission. I. Linear absorption and the anatomy of the correlated triplet pair state
Roel Tempelaar, David R. Reichman
Recent time-resolved spectroscopic experiments have indicated that vibronic coupling plays a vital role in facilitating the process of singlet fission. In this work, which forms th…