Related papers: Phonon-Assisted Ultrafast Charge Separation in a R…
We study hole, electron and exciton transport in a charge transfer system in the presence of underdamped vibrational motion. We analyze the signature of these processes in the linear and third-, and fifth-order nonlinear electronic spectra.…
Transport of charge carriers in mechanically soft semiconductors is mainly limited by their interaction with slow intermolecular phonons. Carrier motion exhibits a crossover from superdiffusive to subdiffusive, producing a distinct…
Charge transport in two zinc metal-organic frameworks (MOFs) has been investigated using periodic semiempirical molecular orbital calculations with the AM1* Hamiltonian. Restricted Hartree-Fock calculations underestimate the band gap…
Through first-principles calculations, the phonon-limited transport properties of cubic boron-V compounds (BP, BAs and BSb) are studied. We find that the high optical phonon frequency in these compounds leads to the substantial suppression…
The perturbation of a semiconductor from the thermodynamic equilibrium often leads to the display of nonlinear dynamics and formation of spatiotemporal patterns due to the spontaneous generation of competing processes. Here, we describe the…
Charge carrier dynamics critically affect the efficiency and stability of organic photovoltaic devices, but they are challenging to model with traditional analytical methods. We introduce \b{eta}-Linearly Decoded Latent Ordinary…
The capture of photoexcited deep-band hot carriers, excited by photons with energies far above the bandgap, is of significant importance for photovoltaic and photoelectronic applications since it is directly related to the quantum…
Charge carrier mobilities are critical parameters in halide perovskite solar cells, governing their average carrier velocity under an applied electric field and overall efficiency. Recent advances in first-principles calculations of…
The anisotropic charge carrier mobilities of two phenancene series compounds such as dibenzo[a,c]picene (DBP) and tribenzo[a,c,k]tetraphene (TBT) is investigated based on the first-principle calculations and Marcus-Hush theory. The…
A decade ago, an electron-attachment process called interatomic Coulombic electron capture has been predicted to be possible through energy transfer to a nearby neighbor. It has been estimated to be competitive with environment-independent…
The time dependence of device performance has been measured for photocells using blends containing the conjugated polymer, poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV) with two different functionalized C60 electron…
We investigated photogeneration yield and recombination dynamics in blends of poly(3-hexyl thiophene) (P3HT) and poly[2-methoxy-5-(30,70-dimethyloctyloxy)-1,4-phenylenevinylene] (MDMO-PPV) with [6,6]- phenyl-C61 butyric acid methyl ester…
Photovoltaic (PV) devices made from blends of a polyarylamine biscarbonate ester (PABC) and [6,6]-phenyl $C_{61}$ butyric acid methyl ester (PCBM) have been fabricated and characterized. PABC is a hole transporting co-polymer prepared from…
A quantum-dynamical analysis of phonon-driven exciton dissociation at polymer heterojunctions is presented, using a hierarchical electron-phonon model parameterized for three electronic states and 24 vibrational modes. Two interfering decay…
Charge acceleration during an intense light field application to solids attracts much attention as elementary processes in high-harmonic generation and photoelectron emission [1-7]. For manipulating such attosecond dynamics of charge,…
Photovoltaic cells usually have two terminals, one collecting electrons and the other collecting holes. Can more terminals improve such solar cells? Energy-filtering terminals could collect "hot" carriers (electrons or holes not yet relaxed…
The presence of hot carriers is presented in the operational properties of an (FA,Cs)Pb(I, Br, Cl)3 solar cell at ambient temperatures and under practical solar concentration. At 100 K, clear evidence of hot carriers is observed in both the…
Selecting suitable charge transport layers and suppressing non-radiative recombination at interfaces to the absorber layer are vital to maximize the efficiency of halide perovskite solar cells. In this work, high-quality perovskite thin…
By comparing photoemission spectroscopy with a non-perturbative dynamical mean field theory extension to many-body ab initio calculations, we show in the prominent case of pentacene crystals that an excellent agreement with experiment for…
We probe charge photogeneration and subsequent recombination dynamics in neat regioregular poly(3-hexylthiophene) films over six decades in time by means of time-resolved photoluminescence spectroscopy. Exciton dissociation at 10K occurs…