ChemistrySelect
·
2024
·Vol. 9
·期 29
·e202401592
·
IF 1.9
Yazhou Wang,Shunxiang Wang,Qingjie He,Weiqi Sun,Jiaao Wu,Yongpeng Xia,Cuili Xiang,Yongjin Zou,Fen Xu,Lixian Sun
Graphical We employ a hydrothermal method and high-temperature calcination to prepare well-dispersed NiTiO 3 nanoparticles with smaller than 20 nm. The NiTiO 3 nanoparticles show good catalytic effect on hydrogen storage of MgH 2 . The further structural analysis shows that the excellent hydrogen storage performance of MgH 2 -NiTiO 3 benefits from multivalent state of titanium and Mg 2 Ni/Mg 2 NiH 4 . Magnesium hydride (MgH 2 ) has gained significant consideration as a cost-effective solid-state hydrogen-storage material with a substantial hydrogen capacity. However, its practical applications are impeded by its poor kinetics and high thermal stability. In this study, we employed a hydrothermal method and high-temperature calcination to prepare well-dispersed NiTiO 3 nanoparticles smaller than 20 nm. Next, we investigated the effect of the NiTiO 3 nanoparticles for educating the hydrogen storage performance of MgH 2 . The synergistic catalytic effect of multivalent titanium and Mg 2 Ni/Mg 2 NiH 4 enhanced hydrogen storage performance of the MgH 2 system. The addition of 5 wt % NiTiO 3 lowered the initial hydrogen evolution temperature of MgH 2 to 194 °C. After 12 minutes at 275 °C, the 5 wt % NiTiO 3 -MgH 2 composites released 6.1 wt % of hydrogen. The dehydrogenation activation energy ( E a ) of the 5 wt % NiTiO 3 -MgH 2 composites decreased significantly to 38.78±2.1 kJ/mol. Furthermore, hydrogen uptake of 5 wt % NiTiO 3 -MgH 2 at 125 °C reaches 5.1 wt % in 300 s under hydrogen pressure of 20 bar. These findings introduce an innovative concept for preparing high active catalysts for improving the dehydrogenation/hydrogenation kinetics of MgH 2 .
研究领域:
材料科学
·
能源存储
✓ 已验证
产品关联
DOI
高影响因子
Sustainable Energy & Fuels
·
2020
·Vol. 4
·期 5
·2192-2200
·
IF 5.503
Zhewen Ma,Qiuyu Zhang,Wen Zhu,Darvaish Khan,Chuanzhu Hu,Tianping Huang,Wenjiang Ding,Jianxin Zou
TMA-TM (TM = Fe, Ni) MOFs were synthesized successfully by a facile method. A MgH2-TM MOF (TM = Fe, Ni) composite was obtained via ball milling and the corresponding hydrogen storage performance was investigated. Particularly, high-resolution transmission electron microscopy was performed to in situ characterize the dehydrogenation behavior of the MgH2-TM MOF composite. The results reveal that nano α-Fe and Mg2NiH4/Mg2Ni derived from the TMA-TM MOFs display a synergetic improving effect on the de/hydrogenation of MgH2. During the hydrogen desorption process, Mg2NiH4/Mg2Ni works as a “hydrogen pump” to quickly deliver hydrogen and facilitates hydrogen diffusion. Meanwhile, α-Fe accelerates the nucleation and growth of Mg by reducing the nucleation energy of Mg from MgH2. The hydriding activation energy of the MgH2-TM MOF declines to 45.3 kJ mol−1 H2. Meanwhile, the peak dehydriding temperature of the MgH2-TM MOF is 530.9 K, which is much lower compared with the MgH2–Fe MOF composite (541.7 K) and as-milled MgH2 (685.2 K). Therefore, nano Mg2Ni and α-Fe derived from the TMA-TM MOFs can remarkably improve the hydrogen storage properties of the MgH2/Mg system due to their synergetic catalytic effects.
研究领域:
材料科学
·
能源科学
✓ 已验证
DOI
高影响因子
JOURNAL OF ALLOYS AND COMPOUNDS
·
2023
·
IF 6.2
Sanyang Guo,Zhichao Yu,Yuan Li,Yaokun Fu,Zhuohan Zhang,Shumin Han
Magnesium hydride (MgH 2 ) is a promising hydrogen storage material with high weight and volume hydrogen capacity. However, higher operating temperature and reversible hydrogen capacity decay inhibit its wide application. To address these issues, Mg-Mg 2 Ni/C was obtained by ball milling magnesium and nickel-Metal Organic Framework (Ni-MOF), and following calcinations . Initial dehydrogenation temperature of the composite is 530 K, 70 K lower than that of MgH 2 , and the apparent activation energy of the composite is 77.6 ± 2.1 kJ/mol, which is only 50% of MgH 2 . At 423 K, the hydrogen capacity of the composite is about 6 wt% within 3600 s, and keeps unchanged after ten cycles. The carbon material introduced by Ni-MOF inhibits the agglomeration of Mg, and Mg 2 Ni/Mg 2 NiH 4 acts as a “hydrogen pump” in de/hydrogenation process. The carbon coating and “hydrogen pump” lead to the improvement of the ab/desorption kinetics and cycling stability. This attempt paves a potential way to achieve high performance Mg-based composite hydrogen storage materials.
研究领域:
材料科学
·
储氢技术
·
能源材料
✓ 已验证
DOI
高影响因子
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
·
2026
·
IF 9.2
Minkang Li,Xin Liu,Zhuohan Zhang,Yuan Li,Zhaoyang Liu,Lu Zhang,Lixiang Ma,Shumin Han
Mg 2 Ni alloys face sluggish kinetics and high operating temperatures for hydrogen storage. This study employs a synergistic strategy of porosity engineering and Sm doping. Porous Mg 2 Ni and Sm x Mg 2- x Ni alloys are synthesized using NH 4 HCO 3 as a pore-forming agent. The optimized porous Mg 2 Ni achieves rapid absorption (3.1 wt% within 100 s at 200 °C) and lowers the initial desorption temperature to 223 °C without ball milling. Sm doping forms catalytic Sm 3 H 7 , enhancing hydrogen transport and reducing the dehydrogenation barrier. The best composition, Sm 0.05 Mg 1.95 Ni, exhibits initial and peak desorption temperatures of 220 °C and 306 °C, an activation energy of 51.24 kJ mol −1 , and >95% capacity retention after 10 cycles. This work demonstrates that combining porous structure with Sm doping catalysis is an effective strategy to enhance Mg 2 Ni-based hydrogen storage materials.
✓ 已验证
产品关联
DOI
高影响因子
RARE METALS
·
2025
·
IF 11
Ya-Ke Wu,Kai Jia,Fu-Ying Wu,Bei-Bei Xiao,Ting Bian,Hu Liu,Hong Li,Liu-Ting Zhang
en Weakening the electrostatic attraction between Mg 2+ ions and H − ions in MgH 2 is vital for improving the kinetic performance of MgH 2 for hydrogen storage. Herein, a multivalent microenvironment is synergistically created by Mn and Mg 2 Ni to break the stable structure of MgH 2 , enabling rapid and stable de/hydrogenation performance. Specifically, the catalyzed MgH 2 system rapidly emits 5.98 wt% H 2 at 265°C within just 20 min and swiftly absorbs 6.24 wt% H 2 at 150°C in a mere 10 min. Microscopic characterization shows that a tight interface is formed between Ni and Mn 2 O 3 , which provides a stable anchor point for the formation of hydrogen pumps. Additionally, the multivalency of Mn and abundant oxygen vacancies accelerate the electron transfer and provide the shortest path for H dissociation. Moreover, density functional theory (DFT) indicates that Mg-H is extracted from 0.173 to 0.204 nm after modification, achieving a reduced decomposition energy of MgH 2 . Besides, 97.8% reversible hydrogen storage capacity was maintained after 30 cycles, presenting prominent potential for practical applications. 摘要 zh 削弱MgH 2 中Mg 2+ 离子与H − 离子之间的静电吸引力对于提升MgH 2 作为氢储存材料的动力学性能至关重要。在此,通过Mn与Mg 2 Ni的协同作用,构建了多价微环境,打破了MgH 2 的稳定结构,从而实现了快速且稳定的脱氢和加氢性能。具体而言,催化后的MgH 2 体系在265°C下仅需20分钟即可快速释放5.98 wt%的H 2 ,并在150°C下仅需10分钟即可迅速吸收6.24 wt%的H 2 。微观表征显示,Ni与Mn 2 O 3 之间形成紧密界面,为氢泵的形成提供了稳定的锚定点。并且,锰的多价性和丰富的氧空位加速了电子转移,并为氢的解离提供了最短路径。此外,DFT表明,经过改性后,Mg-H键键长从0.173 nm增加至0.204 nm,从而降低了MgH 2 的结合能。此外,经过30个循环后,可逆氢储存容量仍保持在97.8%,展现出显著的实际应用潜力。
研究领域:
材料科学
·
能源化学
·
固态储氢
·
纳米催化
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF ALLOYS AND COMPOUNDS
·
2025
·
IF 6.3
Yana Liu,Yu Zhu,Qinke Tang,Xinkang Shen,Yunfeng Zhu,Jiguang Zhang,Jun Wang,Zhixin Ba,Wenrong Cai,Yuting Huang,Xiaohui Hu
(3DOM) LaNiO 3 catalysts were successfully synthesized and significantly improved the hydrogen storage kinetics of MgH 2 . MgH 2 -5 wt% 3DOM LaNiO 3 can rapidly absorb 5.91 wt% H 2 at 175 °C within 500 s and desorb 6.37 wt% H 2 within 500 s at 300 °C, its hydrogen absorption and desorption rates are 10 and 11 times higher than MgH 2 -5 wt% Nano LaNiO 3 , respectively. This remarkable enhancement is primarily due to its unique 3DOM structure and the synergistic effect of highly dispersed LaH 3 and Mg 2 Ni/Mg 2 NiH 4 formed in situ during the ball milling and first de/re-hydrogenation process. 3DOM structure catalysts are fragile which can make the catalyst distribution more uniform during ball milling process, giving rise to the significantly improved catalytic activity. The theoretical calculation results show that Mg 2 Ni/LaH 3 heterostructure can greatly reduce the hydrogen adsorption energy to −0.768 eV and the heterogeneous interface induces the charge redistribution between Mg 2 Ni and LaH 3 , resulting in a small amount of negative charge accumulating on the surface of Mg 2 Ni. Moreover, highly dispersed LaH 3 and Mg 2 Ni/Mg 2 NiH 4 in the MgH 2 matrix create a multiphase interface, which can provide more active sites and a variety of pathways for hydrogen diffusion. Above reasons contribute to the excellent synergistic catalytic performance of in situ formed LaH 3 and Mg 2 Ni/Mg 2 NiH 4 on MgH 2 . These discoveries hold scientific value for the design and preparation of highly active catalysts using 3DOM materials for hydrogen storage in light-metal hydrides, especially in MgH 2 .
研究领域:
材料科学
·
能源化学
·
物理化学
✓ 已验证
产品关联
DOI
高影响因子
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
·
2018
·
IF 4.229
Man Chen,Xuezhang Xiao,Meng Zhang,Meijia Liu,Xu Huang,Jiaguang Zheng,Yiwen Zhang,Lijun Jiang,Lixin Chen
Nowadays, catalytic doping has been regarded as one of the most promising and effective methods to improve the sluggish kinetics of magnesium hydride (MgH 2 ). Herein, we synthesized Ni/TiO 2 nanocomposite with the particle sizes about 20 nm by an extremely facile solvothermal method . Then, the Ni/TiO 2 nanocomposite was doped into MgH 2 to enhance its reversible hydrogen storage properties. A remarkably enhancement of de/rehydrogenation kinetics of MgH 2 can be achieved by doped with Ni/TiO 2 nanocomposite, compared to that solely doped with Ni or TiO 2 nanoparticles . The hydrogen desorption peak temperature of MgH 2 Ni/TiO 2 is 232 °C, which is 135.4 °C lower than that of ball-milled MgH 2 (367.4 °C). Moreover, the MgH 2 Ni/TiO 2 can desorb 6.5 wt% H 2 within 7 min at 265 °C and absorb ∼5 wt% H 2 within 10 min at 100 °C. In particular, the apparent activation energy of MgH 2 Ni/TiO 2 is obviously decreased from 160.5 kJ/mol (ball-milled MgH 2 ) to 43.7 ± 1.5 kJ/mol. Based on the analyses of microstructure evolution , it is proved that metallic Ni particles can react with Mg easily to form fine Mg 2 Ni particles after dehydrogenation , and the in-situ formed Mg 2 Ni will transform into Mg 2 NiH 4 in the subsequent rehydrogenation process. The significantly improved hydrogen absorption/desorption properties of MgH 2 Ni/TiO 2 can be ascribed to the synergistic catalytic effect of reversible transformation of Mg 2 Ni/Mg 2 NiH 4 which act as “hydrogen pump”, and the multiple valence titanium compounds (Ti 4+/3+/2+ ) which promote the electrons transfer of MgH 2 /Mg.
研究领域:
材料科学
·
能源存储与转换
✓ 已验证
DOI
高影响因子
ACS Applied Energy Materials
·
2025
·
IF 5.5
Mingxing Guo,Aojie Zhang,Chao Wu,Wenhao Fan,Qiang Zhang,Shaoping Chen
The n-type Mg3(Sb,Bi)2-based thermoelectric materials are promising candidates for medium-temperature power generation due to their low cost, nontoxicity, and high performance. However, their large-scale application in thermoelectric devices is significantly hindered by poor long-term stability, resulting from electrode interface degradation. Effective contact interfaces in thermoelectric devices require high bonding strength, low interfacial resistivity, and exceptional stability. Therefore, the development of efficient and reliable thermoelectric interface materials is crucial for the practical application of these devices. Conventional approaches to forming interfacial barrier layers mainly rely on thermodynamic equilibrium, which often overlook the critical roles of interfacial reactions and diffusion kinetics. In this study, molecular dynamics simulations were employed to uncover the underlying mechanisms responsible for the high stability of the Mg2Ni barrier layer and its interface with thermoelectric materials. The Mg2Ni/Mg3.21Sb1.5Bi0.5Y0.04 thermoelectric device exhibited excellent performance, with a low contact resistance of 11 μΩ·cm2, a high output power density of 1.2 W·cm–2, and an energy conversion efficiency of 5% at a temperature difference of ΔT = 373 K. This strategy is applicable to other thermoelectric materials, offering valuable insights for designing barrier layers in diverse thermoelectric systems.
研究领域:
材料科学
·
热电学
·
界面工程
·
扩散动力学
·
能量转换
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）