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It was shown in the recent experiments that the hybrid organic/inorganic resonant structures can provide a flexible materials platform aimed at the design of novel light emitting devices. The applications of hybrid structures for…
To enable the electrification of transportation systems, it is important to understand how technologies such as grid storage, solar photovoltaic systems, and control strategies can aid the deployment of electric vehicle charging at scale.…
Data centers (DCs) can help decarbonize the power grid by helping absorb renewable power (e.g., wind and solar) due to their ability to shift power loads across space and time. However, to harness such load-shifting flexibility, it is…
We present a heterojunction theory of ultrathin organic multi-layered devices, which is the revision of our previous work. Their characteristic feature is the generation of conductive space charge region in the insulating neutral dielectric…
We consider a simple model for the geminate electron-hole separation process in organic photovoltaic cells, in order to illustrate the influence of dimensionality of conducting channels on the efficiency of the process. The Miller-Abrahams…
Multiple exciton generation solar cells exhibit a low power conversion efficiency owing to nonradiative recombination even if numerous electron and hole pairs are generated per incident photon. This paper elucidates the non-idealities of…
We analyze the potential benefits that energy storage systems (ESS) can bring to distribution networks in terms of cost, stability and flexibility. We propose an optimization model for the optimal sizing, siting, and operation of storage…
Simulations of charge transport in amorphous semiconductors are often performed in microscopically sized systems. As a result, charge carrier mobilities become system-size dependent. We propose a simple method for extrapolating a…
Conventional models of planar and bulk heterojunction organic solar cells have been extended by introducing doping in the active layer. We have studied the performance of organic solar cells as a function of dopant concentration. For bulk…
The spatial collection efficiency portrays the driving forces and loss mechanisms in photovoltaic and photoelectrochemical devices. It is defined as the fraction of photogenerated charge carriers created at a specific point within the…
We investigate the direct-current response of crystalline organic semiconductors in the presence of finite external electric fields by the quantum-classical Ehrenfest dynamics complemented with instantaneous decoherence corrections (IDC).…
Organic semiconducting polymers are currently of broad interest as potential low-cost materials for photovoltaic and light-emitting display applications. I will give an overview of our work in developing a consistent quantum dynamical…
We develop a numerical Brillouin-zone integration scheme for real-time propagation of electronic systems with time-dependent density functional theory. This scheme is based on the decomposition of a large simulation into a set of small…
The theoretical and experimental study of energy transfer in photosynthesis has revealed an interesting transport regime, which lies at the borderline between classical transport dynamics and quantum-mechanical interference effects.…
The performance of organic solar cells (OSCs) can be greatly improved by incorporating silica-coated gold nanorods (Au@SiO2 NRs) at the interface between the hole transporting layer and the active layer due to the plasmonic effect. The…
Recent ultrafast optical experiments show that excitons in large biological light-harvesting complexes are coupled to molecular vibration modes. These high-frequency vibrations will not only affect the optical response, but also drive the…
We study a continuum model of dislocation transport in order to investigate the formation of heterogeneous dislocation patterns. We propose a physical mechanism which relates the formation of heterogeneous patterns to the dynamics of a…
We theoretically analyse the process of charge recombination in the planar Mott-Hubbard insulators with the aim to explain short picosecond-range lifetime of photoexcited carriers, experimentally studied via pump-probe experiments on the…
Semiconductor heterojunctions have gained significant attention for efficient optoelectronic devices owing to their unique interfaces and synergistic effects. Interaction between charge carriers with the heterojunction plays a crucial role…
Perovskite solar cells (PSCs) represent a breakthrough in photovoltaic technology, combining high power conversion efficiencies (PCEs), ease of fabrication, and tunable optoelectronic properties. However, their commercial viability is…