Experimental and theoretical studies on two-dimensional vanadium carbide hybrid nanomaterials derived from V4AlC3 as excellent catalyst for MgH2
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In: Journal of magnesium and alloys, Vol. 11.2023, No. October, 07.10.2022, p. 3790-3799.
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TY - JOUR
T1 - Experimental and theoretical studies on two-dimensional vanadium carbide hybrid nanomaterials derived from V4AlC3 as excellent catalyst for MgH2
AU - Lan, Zhiqiang
AU - Liang, Huiren
AU - Wen, Xiaobin
AU - Hu, Jiayang
AU - Ning, Hua
AU - Zeng, Liang
AU - Liu, Haizhen
AU - Tan, Jun
AU - Eckert, Jürgen
AU - Guo, Jin
N1 - Publisher Copyright: © 2022
PY - 2022/10/7
Y1 - 2022/10/7
N2 - Hydrogen is considered one of the most ideal future energy carriers. The safe storage and convenient transportation of hydrogen are key factors for the utilization of hydrogen energy. In the current investigation, two-dimensional vanadium carbide (VC) was prepared by an etching method using V4AlC3 as a precursor and then employed to enhance the hydrogen storage properties of MgH2. The studied results indicate that VC-doped MgH2 can absorb hydrogen at room temperature and release hydrogen at 170 °C. Moreover, it absorbs 5.0 wt.% of H2 within 9.8 min at 100 °C and desorbs 5.0 wt.% of H2 within 3.2 min at 300 °C. The dehydrogenation apparent activation energy of VC-doped MgH2 is 89.3 ± 2.8 kJ/mol, which is far lower than that of additive-free MgH2 (138.5 ± 2.4 kJ/mol), respectively. Ab-initio simulations showed that VC can stretch Mg-H bonds and make the Mg-H bonds easier to break, which is responsible for the decrease of dehydrogenation temperature and conducive to accelerating the diffusion rate of hydrogen atoms, thus, the hydrogen storage properties of MgH2 are remarkable improved through addition of VC.
AB - Hydrogen is considered one of the most ideal future energy carriers. The safe storage and convenient transportation of hydrogen are key factors for the utilization of hydrogen energy. In the current investigation, two-dimensional vanadium carbide (VC) was prepared by an etching method using V4AlC3 as a precursor and then employed to enhance the hydrogen storage properties of MgH2. The studied results indicate that VC-doped MgH2 can absorb hydrogen at room temperature and release hydrogen at 170 °C. Moreover, it absorbs 5.0 wt.% of H2 within 9.8 min at 100 °C and desorbs 5.0 wt.% of H2 within 3.2 min at 300 °C. The dehydrogenation apparent activation energy of VC-doped MgH2 is 89.3 ± 2.8 kJ/mol, which is far lower than that of additive-free MgH2 (138.5 ± 2.4 kJ/mol), respectively. Ab-initio simulations showed that VC can stretch Mg-H bonds and make the Mg-H bonds easier to break, which is responsible for the decrease of dehydrogenation temperature and conducive to accelerating the diffusion rate of hydrogen atoms, thus, the hydrogen storage properties of MgH2 are remarkable improved through addition of VC.
KW - Density functional theory
KW - Hydrogen storage material
KW - MgH
KW - Two-dimensional
UR - http://www.scopus.com/inward/record.url?scp=85139732817&partnerID=8YFLogxK
U2 - 10.1016/j.jma.2022.09.019
DO - 10.1016/j.jma.2022.09.019
M3 - Article
AN - SCOPUS:85139732817
VL - 11.2023
SP - 3790
EP - 3799
JO - Journal of magnesium and alloys
JF - Journal of magnesium and alloys
SN - 2213-9567
IS - October
ER -
