Revisiting thiophosphate Pb 3 P 2 S 8: a multifunctional material combining a nonlinear optical response and photocurrent response

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B Ji, E Guderjahn, K Wu, TH Syed, W Wei… - Physical Chemistry …, 2021 - pubs.rsc.org

Revisiting thiophosphate Pb 3 P 2 S 8: a multifunctional material combining a nonlinear optical response and photocurrent response.

EPSCoR Research Infrastructure Improvement Program AND Program Evaluation

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GSID: ONduzfoy_0MJ

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Pb3P2S8 was structurally characterized three decades ago with a second harmonic generation response. In this work, Pb3P2S8 was revisited to investigate its electronic structure via DFT calculations and optical properties by UV-vis measurements, second harmonic generation tests, laser damage threshold tests, and photocurrent measurements. Pb3P2S8 is constructed by [PbS7] polyhedra and [PS4] tetrahedra, which was supported by crystal orbital Hamilton population (COHP) calculations. The electron localization function …

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Revisiting thiophosphate Pb 3 P 2 S 8: a multifunctional material combining a nonlinear optical response and photocurrent response.

Excerpt

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