Enhanced photocurrent in heterostructures formed between CH3NH3PbI3 perovskite films and graphdiyne
Literature Information
ChiYung Yam, Chengjie Zhao, Le Liu, Min Zhao, Xiao Zheng
Extending photoabsorption to the near-infrared region (NIR) of the spectrum remains a major challenge for the enhancement of the photoelectric performance of perovskites. In this work, we propose a model of van der Waals heterostructures formed by CH3NH3PbI3 perovskite films and graphdiyne (GDY) to improve the photocurrent in the NIR. To obtain better insights into the properties of GDY/perovskite heterostructures, we first determine its electronic properties using the first principles calculations. The charge transfer between GDY and perovskites leads to a built-in electrical field that facilitates the separation and the transport of the photogenerated carriers. Then, the non-equilibrium Green's function (NEGF) is used to calculate the photocurrents of perovskite slabs with and without GDY. The photocurrents of GDY/perovskite heterostructures are nearly an order of magnitude larger than that of pristine perovskites in NIR due to the synergistic effect between GDY and perovskites. Furthermore, a polarization-sensitive photocurrent is obtained for a GDY/PbI2 heterostructure.
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.













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