User:Chem485Student/Dangling bond

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Dangling bonds in novel semiconductor materials can prove detrimental to the efficiency of solar energy conversion technologies. The presence of a single dangling bond in a Si147H100 quantum dot has been calculated to increase charge recombination rate by as much as a factor of 1010 in Silicon quantum dot-P3HT thin films, which can be attributed to the associated introduction of surface electron states whose energies fall within the quantum dot's bandgap. As electrons diffuse through the thin film, they become trapped at the dangling bonds located at the Silicon quantum dot surfaces, where they eventually recombine with holes. In lead-free tin-halide perovskites, the presence of dangling bonds on surface tin atoms render them susceptible to oxidation from Sn2+ to Sn4+. This oxidation dopes the perovskite with holes which occupy energy levels slightly below the top of the valence band, resulting in higher energy photon absorption onset.