对平衡态及光照下非平衡态的n-Si/n-Fe2O3/electrolyte的能带结构进行了分析,同时结合转移矩阵法定量地计算Si中不同能量的电子/空穴穿过n-Si/n-Fe2O3势垒并满足水氧化还原电势要求的透射系数,从而得出光照与Fe2O3厚度对Si中电子/空穴透射能量的影响.结果表明:Fe2O3层厚度(1～10 nm)与光电压的增大,均可以使Si中电子满足水还原反应电势要求所需的最小能量减小,同时使Si中空穴满足水氧化反应电势要求所需的最小能量增大.通过选择合适的Fe2O3厚度(～7 nm),可以使Si中的光生电子和光生空穴同时以较小的能量传输到电解液中并满足水氧化和水还原反应的电势要求.
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