Cu⁺-containing materials have great potentials in various applications like adsorptive desulfurization. Nevertheless, their applications are severely obstructed by poor stability of Cu⁺ in air. Here, we first clarify the mechanism of Cu⁺ oxidation by first-principle calculations and demonstrate that moisture accelerates Cu⁺ oxidation dramatically. Then, the microenvironment of Cu₂O-modified HKUST-1, a typical metal-organic framework, is adjusted from hydrophilic to hydrophobic with polydimethylsiloxane coating (producing Cu₂O@HK@P). This isolates moisture from pores and enhances the stability of Cu⁺ significantly even under oxygen atmosphere. Cu⁺ in Cu₂O@HK@P preserves well after exposed to air for 6 months, while Cu₂O@HK lose almost all Cu⁺ for 2 weeks. The optimal Cu₂O@HK@P can remove 540 μmol g⁻¹ of thiophene from hydrous fuel, which is much superior to Cu₂O@HK (227 μmol g⁻¹) and most reported adsorbents. Our strategy can also be applied to stabilize Cu⁺ in various materials including zeolite, mesoporous silica, and activated carbon.

中文翻译：

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调节Cu+的适应微环境以增强噻吩捕获的氧化抑制

含Cu ⁺材料在吸附脱硫等各种应用中具有巨大的潜力。然而，Cu ⁺在空气中的稳定性差严重阻碍了它们的应用。在这里，我们首先通过第一性原理计算阐明了 Cu ⁺氧化的机制，并证明水分显着加速了 Cu ⁺氧化。然后，通过聚二甲基硅氧烷涂层（产生Cu ₂ O@HK@P）将Cu ₂ O修饰的HKUST-1（一种典型的金属有机骨架）的微环境从亲水性调整为疏水性。这将水分与孔隙隔离开来，即使在氧气环境下也能显着提高 Cu ⁺的稳定性。铜⁺ in Cu ₂ O@HK@P 暴露在空气中 6 个月后仍能很好地保存，而 Cu ₂ O@HK在 2 周内几乎失去所有的 Cu ⁺。最佳的Cu ₂ O@HK@P 可以从含水燃料中去除540 μmol g ^-1的噻吩，远优于Cu ₂ O@HK (227 μmol g ^-1 ) 和大多数报道的吸附剂。我们的策略还可用于稳定各种材料中的Cu ⁺，包括沸石、介孔二氧化硅和活性炭。