Article
Chemistry, Physical
Jinchun Bao, Huaqin Kou, Xu Huang, Rongxing Ye, Degao Wang, Qifa Pan, Quanwen Wu, Tifeng Xia, Yulong Li, Ge Sang
Summary: This study investigates the anti-disproportionation properties of Zr(Ti)Co alloy with thin film structure and the effects of film thickness and Ti substitutions on its performance. The results show that the film structure exhibits better anti-disproportionation properties compared to the particle structure, and Ti doping further improves the alloy's performance.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Xiaodan Gu, Fang Wang, Junliang Cheng, Xiangguo Zeng, Huaqin Kou
Summary: This study investigates the hydrogen desorption behavior of Zr1-xNbxCo1-yCryH3 systems formed by Nb substitution and Nb/Cr co-substitution in the ZrCoH3 crystal using first-principles calculations. It is found that both Nb doping and Nb/Cr co-doping have a positive effect on the hydrogen desorption ability of ZrCoH3. Particularly, the Zr0.75Nb0.25Co0.875Cr0.125 hydride exhibits the lowest dehydrogenation temperature, highlighting the potential of Nb and Cr co-substitution to improve the dehydrogenation performance of ZrCo-based alloy.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Energy & Fuels
Mingde Wu, Zhifeng Zhang, Yexin Yang, Xiaoyu Hu, Xiaofeng Tian, You Yu, Jiangfeng Song
Summary: This paper investigates the anti-disproportionation mechanism of Ti-doped ZrCo alloys and finds that the occupancy of H(8e) atoms and the bond length of Zr-H(8e) are the decisive factors affecting the anti-disproportionation performance.
Article
Chemistry, Physical
Rongxing Ye, Huaqin Kou, Wenhua Luo, Xu Huang, Tao Tang, Zhiyong Huang, Ge Sang, Jinchun Bao, Hui He
Summary: The cycling stability of the ZrCo-H system is influenced by various parameters including hydrogen pressure, temperature, composition, and stoichiometric ratio of H atoms. Maintaining a stoichiometric ratio of H atoms above 1 in the ZrCo alloy can prevent disproportionation reaction and improve cycling performance.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2021)
Article
Chemistry, Physical
Chongyao Song, Fengyun Ding, Rongxin Ye, Jiangfeng Song, Hongxiang Zong, Xiaohong Chen, Linsen Zhou
Summary: This study systematically investigated the effects of Sc/V/Ni substitution on the hydrogen diffusion and anti-disproportionation properties of ZrCo alloys and their hydrides through theoretical calculations. The results showed that doping V can improve hydrogen permeability and fast kinetics by reducing the migration barrier of absorbed H. However, Sc/Ni increased the migration barrier and V/Ni increased the formation energy of H in ZrCoH3 hydrides. These findings provide valuable insights for the design of high-performance ZrCo alloys.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Ram Avtar Jat, Deepak Rawat, Abhishek Sharma, S. C. Parida
Summary: In this study, the hydrogen isotope storage properties of ZrCo alloy were improved by partially substituting Zr with Ti and Nb. Alloys of composition Zr0.8Ti0.2-xNbxCo (x = 0.05, 0.1, 0.15) were prepared and characterized to investigate the effect of Ti and Nb doping on hydrogen storage properties. XRD analysis confirmed the formation of the desired pure cubic phase in all synthesized alloys, similar to the ZrCo phase. The presence of a single plateau in the hydrogen desorption pressure-composition isotherms confirmed the single-step hydrogen absorption-desorption behavior in Zr0.8Ti0.2-xNbxCo alloys. The co-substitution of Ti and Nb had a significant impact on the anti-disproportionation properties of the ZrCo alloy under hydrogen-induced disproportionation conditions, making the Ti and Nb co-substituted quaternary alloys desirable for hydrogen isotope storage and delivery applications.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Ram Avtar Jat, Deepak Rawat, Abhishek Sharma
Summary: The anti-disproportionation properties of Zr0.8Ti0.2-xNbxCo alloys were improved by substituting Zr with Ti and Nb. The co-substitution also decreased the activation energy for hydrogen/deuterium desorption reactions. Furthermore, the Zr0.8Ti0.2-xNbxCo-deuterides exhibited superior anti-disproportionation properties compared to the corresponding hydrides.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Z. Liang, Z. Yao, X. Xiao, X. Wang, H. Kou, W. Luo, C. Chen, L. Chen
Summary: This study demonstrates the tuning of lattice by Pd substitution for Co in ZrCo alloy to achieve stable dehydrogenation/hydrogenation reaction, leading to improved cycling stability and capacity retention. The potential of lattice tuning for enhancing the cycling performance in hydrogen isotope storage materials is highlighted.
MATERIALS TODAY ENERGY
(2021)
Article
Nanoscience & Nanotechnology
Yingbo Yuan, Xiaofang Liu, Wukui Tang, Zhenyang Li, Gang Huang, Haihan Zou, Ronghai Yu, Jianglan Shui
Summary: Honeycomb-structured ZrCo composed of highly crystalline submicrometer ZrCo units was synthesized using electrospray deposition and magnesiothermic reduction. Compared with conventional ZrCo alloys, honeycomb ZrCo does not require activation and exhibits significantly improved kinetic property, anti-disproportionation ability, and cycling stability.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Review
Chemistry, Physical
Zhaoqing Liang, Xuezhang Xiao, Jiacheng Qi, Huaqin Kou, Lixin Chen
Summary: This review provides a comprehensive survey on the previous advances in improving hydrogen storage performances for ZrCo-based alloys. It discusses the basic hydrogen storage characteristics of ZrCo alloy, the impacts of different modification strategies on de-/hydriding rates, desorption temperature, 3He trapping ability, and cycling stability. The review emphasizes the importance of alloying in improving the performance of ZrCo-based alloys and highlights the specific functions of each element substitution.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Multidisciplinary Sciences
Zhenyang Li, Shiyuan Liu, Yanhui Pu, Gang Huang, Yingbo Yuan, Ruiqi Zhu, Xufeng Li, Chunyan Chen, Gao Deng, Haihan Zou, Peng Yi, Ming Fang, Xin Sun, Junzhe He, He Cai, Jiaxiang Shang, Xiaofang Liu, Ronghai Yu, Jianglan Shui
Summary: This study reveals a disproportionation mechanism in ZrCo alloy and proposes a nano-single-crystal strategy to improve its hydrogen-isotope storage performances. The research also establishes a mathematical relationship between dehydrogenation temperature and ZrCo particle size, and develops a microwave method for detecting the hydrogen storage state of ZrCo.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Zhangting Wei, Chongyao Song, Linsen Zhou, Jiangfeng Song, Yongtao An, Shaoyi Wu
Summary: This study investigates the properties of TM-doped (TM = Ti, Cu, Nb, and Rh) ZrCo alloys using density functional theory (DFT). The results show that TM dopants can improve the ductility and hardness of ZrCo alloys, with Cu and Nb dopants having better diffusion properties. Moreover, in the b-phase ZrCoH3, hydrogen occupation is closely related to disproportionation reaction, and the substitution of Ti and Nb can improve anti-disproportionation properties.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Youshan Yang, Lusheng Wang
Summary: The electronic structures of Zr8Co8 and its hydrides were systematically investigated, and the influence of Ti and Hf doping on the atomic bonding properties was studied. The results show that Ti and Hf doping can improve the hydrogenation performance of Zr8Co8.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Xin Wei, Wei Zhang, Hanfeng Sun, Zeming Yuan, Qilu Ge, Yanghuan Zhang, Yan Qi
Summary: In this study, Mg95-xAl5Yx (x = 0-5) composites were successfully prepared to improve the sluggish kinetics and poor thermodynamics of Mg-based materials. The substitution of Y for Mg resulted in the formation of second phase Mg24Y5 and improved thermal stability. Additionally, the initial decomposition temperature of the Mg-Al-based alloy could be significantly reduced by the addition of yttrium.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Chemistry, Physical
Kun Zhang, Fang Wang, Junliang Cheng, Xiangguo Zeng
Summary: This study developed a multiphase field model to investigate the formation paths of ZrCoHy, ZrH2, and ZrCo2 phases in the ZrCoH0.5 matrix. The results showed that ZrCoHy is more likely to produce disproportionation products, and the presence of ZrH2 and ZrCo2 promotes this process.
MATERIALS TODAY ENERGY
(2021)