Related papers: Manipulation of Charge Delocalization in a Bulk He…
In organic photovoltaics, charges can separate efficiently even if their Coulomb attraction is an order of magnitude greater than the available thermal energy. Delocalization has been suggested to explain this fact, because it could…
Charge-transfer excitons (CTX) at organic donor/acceptor interfaces are considered important intermediates for charge separation in photovoltaic devices. Crystalline model systems provide microscopic insights into the nature of such states…
The electron-hole pair created via photon absorption in organic photoconversion systems must overcome the Coulomb attraction to achieve long-range charge separation. We show that this process is facilitated through the formation of excited,…
Observation of interlayer, charge-transfer (CT) excitons in van der Waals heterostructures (vdWHs) based on 2D-2D systems has been well investigated. While conceptually interesting, these charge transfer excitons are highly delocalized and…
Dynamics of ionic-to-neutral and neutral-to-ionic phase transitions induced by intrachain charge-transfer photoexcitations are studied in a quasi-one-dimensional extended Hubbard model with alternating potentials and an electron-lattice…
Efficient charge separation in van der Waals (vdW) heterostructures is crucial for optimizing light harvesting and detection applications. However, precise control over the microscopic pathways governing ultrafast charge transfer remains an…
Organic photovoltaics (OPVs) are promising candidates for solar-energy conversion, with device efficiencies continuing to increase. However, the precise mechanism of how charges separate in OPVs is not well understood because low dielectric…
Linear and nonlinear optical lineshapes reveal details of excitonic structure in semiconductor polymers. We implement absorption, photoluminescence, and transient absorption spectroscopies in DPP-DTT, an electron push-pull copolymer, to…
In common nonpolar liquids, such as saturated hydrocarbons, a dynamic equilibrium between trapped (localized) and quasifree (extended) states has been postulated for the excess electron (the two-state model). Using time-resolved dc…
The rapid development of modern energy applications drives an urgent need to enhance the dielectric strength of energy storage dielectrics for higher power density. Interface design is a promising strategy to regulate the crucial charge…
Contact electrification give rise to charge accumulation at the interface when two materials are brought into contact with each other. The charge accumulation at the interface will diffuse to the interior of the conducting material if the…
Modeling the charge-generation process is highly important to understand device physics and optimize power conversion efficiency of bulk-heterojunction (BHJ) organic solar cells (OSCs). Free carriers are generated by both ultrafast exciton…
In superlattices of twisted semiconductor monolayers, tunable moir\'e potentials emerge, trapping excitons into periodic arrays. In particular, spatially separated interlayer excitons are subject to a deep potential landscape and they…
Quantum--Mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those…
The influence of charge trap states in the dielectric boundary material on capacitively coupled radio frequency plasma discharge is investigated with theory and Particle in cell/Monte Carlo Collision simulation. It is found that the trap…
We develop an analytical theory of the localization-delocalization transition for a disordered Bose system, focusing on a Cooper-pair insulator. We consider a chain of small superconducting granules coupled via Josephson links and show that…
We theoretically investigate the optical energy absorption of crystalline silicon subject to dual-color femtosecond laser pulses, using the time-dependent density functional theory (TDDFT). We employ the modified Becke-Johnson (mBJ)…
Non-local quasiparticles in correlated quantum materials can exhibit the proximity effect. For instance, in metal superconductor hybrid systems, the leaking of cooper pairs to the metallic region induces superconducting correlations in a…
Study of the dephasing in electronic systems is not only important for probing the nature of their ground states, but also crucial to harnessing the quantum coherence for information processing. In contrast to well-studied conventional…
Pulse charging can be used to boost up charging speed for lithium-ion batteries and delay battery capacity fading by periodically pausing the current during charging. However, this technique introduces intermittence for current and may thus…