Destabilization of Mg–H bonding through nano-interfacial confinement by unsaturated carbon for hydrogen desorption from MgH2
文献情報
Md Abdul Wahab, Jie Cui, Min Zhu
We propose a new mechanism for destabilizing Mg–H bonding by means of a combination of the size effect and MgH2–carbon scaffold interfacial bonding, and experimentally realize low temperature hydrogen release starting from 50 °C using an MgH2@CMK-3 nanoconfinement system (37.5 wt% MgH2 loading amount). Based on computational calculations, it is found that the charge transfer from MgH2 to the carbon scaffold plays a critical role in the significant reduction of thermodynamics of MgH2 dehydrogenation. Our results suggest how to explore an alternative route for the enhancement of nano-interfacial confinement to destabilize the Mg–H hydrogen storage system.
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掲載誌
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














