Density functional theory methods for characterization of porous materials
This review presents the state-of-the-art of adsorption characterization of mesoporous and
microporous materials by using the density functional theory (DFT) methods. The DFT …
microporous materials by using the density functional theory (DFT) methods. The DFT …
The role of storage systems in hydrogen economy: A review
An economy based on hydrogen is widely regarded as the potential successor of the fossil-
fuel-driven present energy sector. One major obstacle in develo** the hydrogen economy …
fuel-driven present energy sector. One major obstacle in develo** the hydrogen economy …
[HTML][HTML] Hydrogen clathrates: Next generation hydrogen storage materials
Extensive research has been carried on the molecular adsorption in high surface area
materials such as carbonaceous materials and MOFs as well as atomic bonded hydrogen in …
materials such as carbonaceous materials and MOFs as well as atomic bonded hydrogen in …
Recent progress on nitrogen/carbon structures designed for use in energy and sustainability applications
Heteroatom modification represents one of the largest studied areas of research related to
nanostructured carbon materials, with integrated applications stretching from energy …
nanostructured carbon materials, with integrated applications stretching from energy …
Porous carbon-based materials for hydrogen storage: advancement and challenges
Y **
We have performed DFT simulations to quest for an optimal material for onboard hydrogen
(H 2) storage applications. Using first-principles calculations, we established that the …
(H 2) storage applications. Using first-principles calculations, we established that the …
Nanospace engineering of KOH activated carbon
This paper demonstrates that nanospace engineering of KOH activated carbon is possible
by controlling the degree of carbon consumption and metallic potassium intercalation into …
by controlling the degree of carbon consumption and metallic potassium intercalation into …
[PDF][PDF] Graphene oxide framework materials: theoretical predictions and experimental results
The reduction of fossil fuel use in vehicles is key to reducing greenhouse emissions.[1]
Vehicles and other systems powered by hydrogen have the advantage of emitting only water …
Vehicles and other systems powered by hydrogen have the advantage of emitting only water …
Cigarette butt-derived carbons have ultra-high surface area and unprecedented hydrogen storage capacity
Discarded cigarette filters, in the form of cigarette butts, are a major waste disposal and
environmental pollution hazard due to mainly containing cellulose acetate which is non …
environmental pollution hazard due to mainly containing cellulose acetate which is non …
The synthesis and characterization of copper-based metal–organic framework/graphite oxide composites
New composites of a copper-based metal–organic framework and graphite oxide were
synthesized with different ratios of HKUST-1 (also called MOF-199) and graphite oxide …
synthesized with different ratios of HKUST-1 (also called MOF-199) and graphite oxide …