@article{Wu2026, 
author = {Ping Wu and Ziyin Dai and Xiaoran Qin and Manfu Jiang and Cui Ni and Hideo Kimura and Shengjian Qin and Chuanxin Hou and Wei Du and Xiubo Xie},
title = {Charge transfer between the MgH2 and TiO2 surface of the MgH2/TiO2/Ni3ZnC0.7 composite with good cyclic reliability},
year = {2026},
journal = {Journal of Magnesium and Alloys},
volume = {17},
number = {C},
keywords = {Charge transfer, Multiple catalysts, Mg-based hydrogen storage materials, Hydrogen storage kinetics, Ni3ZnC0.7 catalysts},
url = {https://www.sciopen.com/article/10.1016/j.jma.2026.101980},
doi = {10.1016/j.jma.2026.101980},
abstract = {In order to improve the hydrogen storage properties of MgH2, the layered Ni3ZnC0.7 loaded TiO2 composite with bamboo-like carbon nanotubes on surface is prepared by filtration followed with calcination. The MgH2-2.5 wt% TiO2/Ni3ZnC0.7 composite can absorb 4.13 wt% H2 at 423 K and 600 s, and release 4.02 wt% H2 at 573 K and 60 min. The hydrogen absorption/desorption activation energies are decreased to 41.92 and 95.18 kJ mol−1 H2, respectively. The hydrogen storage capacity exhibits little changes under different temperatures and pressures (110 cycles), clearly imply its cycle stability of this composite. The in-situ generated Mg2Ni/Mg2NiH4 acts as a “hydrogen pump” providing additional channels for hydrogen diffusion and the presence of carbon nanotubes limits the aggregation and growth of Mg/MgH2 particles. Moreover, multivalent Ti provides bridges and catalytically active sites for electron transfer between. During the broken process of Mg-H bonds, Bader charge maps indicate that H is bonded with Ti and Mg is bonded with O; After another MgH2 absorbed, two H atoms are coordinated to Ti, implying that the TiO2 acts as “charge regulator”. The deep understanding of the charge transfer between the MgH2 and TiO2 surface of the MgH2/TiO2/Ni3ZnC0.7 composite should provide new sight for designing MXene and Ni3ZnC0.7 derived catalysts.}
}