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• W3100870918 abstract "We present a straightforward and computationally cheap method to obtain the phonon-assisted photocurrent in large-scale devices from first-principles transport calculations. The photocurrent is calculated using nonequilibrium Green's function with light-matter interaction from the first-order Born approximation while electron-phonon coupling (EPC) is included through special thermal displacements (STD). We apply the method to a silicon solar cell device and demonstrate the impact of including EPC in order to properly describe the current due to the indirect band-to-band transitions. The first-principles results are successfully compared to experimental measurements of the temperature and light intensity dependence of the open-circuit voltage of a silicon photovoltaic module. Our calculations illustrate the pivotal role played by EPC in photocurrent modelling to avoid underestimation of the open-circuit voltage, short-circuit current and maximum power. This work represents a recipe for computational characterization of future photovoltaic devices including the combined effects of light-matter interaction, phonon-assisted tunneling and the device potential at finite bias from the level of first-principles simulations." @default.
• W3100870918 created "2020-11-23" @default.
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• W3100870918 date "2018-07-25" @default.
• W3100870918 modified "2023-10-02" @default.
• W3100870918 title "Efficient First-Principles Calculation of Phonon-Assisted Photocurrent in Large-Scale Solar-Cell Devices" @default.
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• W3100870918 doi "https://doi.org/10.1103/physrevapplied.10.014026" @default.
• W3100870918 hasPublicationYear "2018" @default.
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