First-principles insight into hydrogen adsorption over Co4 anchored on defective graphene
Source abstract
Abstract
Abstract The interaction of hydrogen with graphene-supported Co4 was studied by first-principles calculation, with a particular focus on the role of support defects in modulating the adsorption properties of hydrogen. It is shown that point defects in graphene can effectively improve the capacity of Co4 for hydrogen storage by modifying the interactions between metal cluster and supports, but exert different effects. By virtue of excellent structural stability and favorable hydrogen uptake, Co4 decorated on defective graphene with dopant N accompanying with C-vacancy stand out as promising hydrogen storage media, and such a better performance is more likely relating to a lower d-band center of supported-Co4. This work explores the possibility of Co4-decorated defective graphene sheets as hydrogen storage materials through introducing the appropriate defects in support.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Hydrogen Storage and Materials · Advancements in Battery Materials · Graphene research and applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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