School of Physics and Astronomy, University of Nottingham, Nottingham NG7 2RD, UK.
Advanced Materials Research Group, Faculty of Engineering, University of Nottingham, Nottingham NG7 2RD, UK.
Molecules. 2020 May 28;25(11):2526. doi: 10.3390/molecules25112526.
The emergence of the hydrogen economy requires development in the storage, generation and sensing of hydrogen. The indium selenide ( γ -InSe) van der Waals (vdW) crystal shows promise for technologies in all three of these areas. For these applications to be realised, the fundamental interactions of InSe with hydrogen must be understood. Here, we present a comprehensive experimental and theoretical study on the interaction of γ -InSe with hydrogen. It is shown that hydrogenation of γ -InSe by a Kaufman ion source results in a marked quenching of the room temperature photoluminescence signal and a modification of the vibrational modes of γ -InSe, which are modelled by density functional theory simulations. Our experimental and theoretical studies indicate that hydrogen is incorporated into the crystal preferentially in its atomic form. This behaviour is qualitatively different from that observed in other vdW crystals, such as transition metal dichalcogenides, where molecular hydrogen is intercalated in the vdW gaps of the crystal, leading to the formation of "bubbles" for hydrogen storage.
氢能经济的出现需要在氢气的存储、生成和感测方面取得发展。硒化铟（γ-InSe）范德华（vdW）晶体有望应用于这三个领域的技术。为了实现这些应用，必须了解 InSe 与氢气的基本相互作用。在这里，我们对 γ-InSe 与氢气的相互作用进行了全面的实验和理论研究。结果表明，Kaufman 离子源对 γ-InSe 的加氢处理会显著猝灭室温光致发光信号，并改变 γ-InSe 的振动模式，这些模式通过密度泛函理论模拟进行建模。我们的实验和理论研究表明，氢优先以原子形式掺入晶体。这种行为与在其他 vdW 晶体（如过渡金属二卤化物）中观察到的行为明显不同，在后者中，分子氢插入晶体的 vdW 间隙中，从而形成“气泡”用于储氢。
