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nm and λH2 = 1.97 ± 0.78 nm.Illuminated GaP electrodes selectively reduce CO2 to CH3OH in aqueous solution. To understand the photoelectrocatalytic mechanism, knowledge of the GaP surface atomic structure in contact with water under relevant electrochemical conditions is essential. However, there remains a debate about the oxidation state of GaP, i.e., whether oxide species are present at the surface. To address this issue, we use density functional theory to investigate the adsorption of oxide species on GaP(11, a stabl

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