Applied Surface Science ( IF 6.3 ) Pub Date : 2022-01-22 , DOI: 10.1016/j.apsusc.2022.152561 Yuting Shao 1, 2 , Haiguang Gao 1, 2 , Qinke Tang 1, 2 , Yana Liu 1, 2 , Jiangchuan Liu 1, 2 , Yunfeng Zhu 1, 2 , Jiguang Zhang 1, 2 , Liquan Li 1, 2 , Xiaohui Hu 1, 2 , Zhixin Ba 3
Three-dimensionally ordered macroporous (3DOM) materials have attracted sizable attention due to their unique interconnected and periodically arranged macroporous structures. 3DOM TiO2 prepared by colloidal crystal template method was firstly applied to enhance the hydrogen storage properties of MgH2. TiO2 nanoparticles with the size of 5 ∼ 10 nm were supported on 3DOM structure with ordered and homogeneous pores about 150 nm. MgH2-5 wt% 3DOM TiO2 can quickly absorb 4.17 wt% H2 within 1800 s at 100 °C and desorb 5.75 wt% H2 at 300 °C within 1000 s. Ultra-fine and uniformly dispersed TiO2 particles can provide numerous reactive sites for the hydrogen de/absorption of MgH2. In addition, the electron transfer on contact interface between MgH2 and TiO2 can be observed by the binding energy shift of TiO2, and further be verified by work function and charge density calculations. Therefore, the in-situ formed multiple valence Ti can be an intermediate medium for transformation from MgH2 to Mg, which leads to the destabilization of MgH2 and ultimately promotes dehydrogenation. This finding will attract more attention to elaborate highly efficient catalysts based on 3DOM structure in hydrogen storage materials.
中文翻译:
三维有序大孔结构负载超细二氧化钛纳米粒子提高MgH2储氢性能
三维有序大孔(3DOM)材料由于其独特的相互连接和周期性排列的大孔结构而引起了相当大的关注。首次将胶体晶体模板法制备的3DOM TiO 2用于提高MgH 2的储氢性能。尺寸为5~10 nm的TiO 2纳米颗粒负载在3DOM结构上,具有约150 nm的有序均匀孔隙。MgH 2 -5 wt% 3DOM TiO 2在100℃下1800 s内可快速吸附4.17 wt% H 2,在300℃下1000 s内可快速脱附5.75 wt% H 2 。超细且均匀分散的TiO 2颗粒可以为MgH 2的氢解吸/吸收提供许多反应位点。此外,MgH 2和TiO 2接触界面上的电子转移可以通过TiO 2的结合能位移来观察,并通过功函数和电荷密度计算进一步验证。因此,原位形成的多价Ti可以作为MgH 2向Mg转变的中间介质,导致MgH 2的不稳定并最终促进脱氢。这一发现将吸引更多人关注基于 3DOM 结构的储氢材料中的高效催化剂。