Single atom catalysts on carbon‐based materials
Metal particle size is an important parameter to consider when looking at supported catalyst
performances. As for other properties, surface reactivity of metallic nanoparticles is thus …
performances. As for other properties, surface reactivity of metallic nanoparticles is thus …
Single-atom engineering of metal-organic frameworks toward healthcare
D Wang, Y Zhao - Chem, 2021 - cell.com
Single-atomic nanocatalysts/nanozymes (SACs/SAEs) have emerged as a research frontier
on account of the maximum atom-utilization efficiency and well-defined localized structure …
on account of the maximum atom-utilization efficiency and well-defined localized structure …
Titanium-decorated carbon nanotubes as a potential high-capacity hydrogen storage medium
We report a first-principles study, which demonstrates that a single Ti atom coated on a
single-walled nanotube (SWNT) binds up to four hydrogen molecules. The first H 2 …
single-walled nanotube (SWNT) binds up to four hydrogen molecules. The first H 2 …
Effect of CNT decoration with silver nanoparticles on electrical conductivity of CNT-polymer composites
A simple approach to decorate carbon nanotube (CNT) with silver nanoparticles (Ag-NPs)
was developed to enhance the electrical conductivity of CNT. CNTs were functionalized …
was developed to enhance the electrical conductivity of CNT. CNTs were functionalized …
Functionalization of carbon-based nanostructures with light transition-metal atoms for hydrogen storage
In a recent letter [T. Yildirim and S. Ciraci, Phys. Rev. Lett. 94, 175501 (2005)], the unusual
hydrogen storage capacity of Ti decorated carbon nanotubes has been revealed. The …
hydrogen storage capacity of Ti decorated carbon nanotubes has been revealed. The …
3d transition metal embedded C2N monolayers as promising single-atom catalysts: a first-principles study
DW Ma, Q Wang, X Yan, X Zhang, C He, D Zhou… - Carbon, 2016 - Elsevier
Using first-principles calculation, the potential of the very recently synthesized graphene-like
C 2 N monolayers as the single-atom catalyst (SAC) substrates for the 3d transition metal …
C 2 N monolayers as the single-atom catalyst (SAC) substrates for the 3d transition metal …
Carbon nanotube (CNT) gas sensors for emissions from fossil fuel burning
Fossil fuels endow wide applications in industrial, transportation, and power generation
sectors. However, smoke released by burning fossil fuels contains toxic gases, which …
sectors. However, smoke released by burning fossil fuels contains toxic gases, which …
Silicon and III-V compound nanotubes: Structural and electronic properties
Unusual physical properties of single-wall carbon nanotubes have started a search for
similar tubular structures of other elements. In this paper, we present a theoretical analysis of …
similar tubular structures of other elements. In this paper, we present a theoretical analysis of …
Adsorption and dissociation of hydrogen molecules on bare and functionalized carbon nanotubes
Interaction between hydrogen molecules and bare as well as functionalized single-wall
carbon nanotubes (SWNT) is investigated using first-principles plane wave method. It is …
carbon nanotubes (SWNT) is investigated using first-principles plane wave method. It is …
Trends in the adsorption of 3d transition metal atoms onto graphene and nanotube surfaces: a DFT study and molecular orbital analysis
The functionalization of graphene and (8, 0) single-walled carbon nanotubes (SWCNTs)
with individual 3d transition metal (TM) atoms was modeled using density functional theory …
with individual 3d transition metal (TM) atoms was modeled using density functional theory …