Current understanding of the growth of carbon nanotubes in catalytic chemical vapour deposition
V Jourdain, C Bichara - Carbon, 2013 - Elsevier
Due to its higher degree of control and its scalability, catalytic chemical vapour deposition is
now the prevailing synthesis method of carbon nanotubes. Catalytic chemical vapour …
now the prevailing synthesis method of carbon nanotubes. Catalytic chemical vapour …
Progresses in the Preparation of Coke Resistant Ni‐based Catalyst for Steam and CO2 Reforming of Methane
Steam reforming of methane is an extremely important process for the hydrogen and syngas
production. Nickel‐based catalysts have been extensively employed in the industrial …
production. Nickel‐based catalysts have been extensively employed in the industrial …
Methane dissociation on Ni (1 0 0), Ni (1 1 1), and Ni (5 5 3): a comparative density functional theory study
Density functional theory (DFT) calculations were performed to study the dissociation
properties of CH4 on Ni (100), Ni (111), and Ni (553) surfaces. The transition states for …
properties of CH4 on Ni (100), Ni (111), and Ni (553) surfaces. The transition states for …
Atomistic modelling of CVD synthesis of carbon nanotubes and graphene
We discuss the synthesis of carbon nanotubes (CNTs) and graphene by catalytic chemical
vapour deposition (CCVD) and plasma-enhanced CVD (PECVD), summarising the state-of …
vapour deposition (CCVD) and plasma-enhanced CVD (PECVD), summarising the state-of …
[HTML][HTML] Exploring computational design of size-specific subnanometer clusters catalysts
Computational design of catalysts is currently an area of significant interest. While this area
has made great strides in recent years, these methods have mainly been applied to solid …
has made great strides in recent years, these methods have mainly been applied to solid …
Dry reforming of methane on NiCu and NiPd model systems: Optimization of carbon chemistry
P Zambaldi, L Haug, S Penner, B Klötzer - Catalysts, 2022 - mdpi.com
A series of ultra-clean, unsupported Cu-doped and Pd-doped Ni model catalysts was
investigated to develop the fundamental concept of metal doping impact on the carbon …
investigated to develop the fundamental concept of metal doping impact on the carbon …
Carbon nanotube growth: First-principles-based kinetic Monte Carlo model
Growth mechanism of carbon nanotubes (CNT) on nickel nanoparticles has been
investigated using a multiscale modeling approach that integrates density functional theory …
investigated using a multiscale modeling approach that integrates density functional theory …
Homogeneous nucleation of graphitic nanostructures from carbon chains on Ni (111)
D Cheng, G Barcaro, JC Charlier, M Hou… - The Journal of …, 2011 - ACS Publications
The structure, energetics, and mobility of carbon aggregates up to 10 atoms on the Ni (111)
surface are investigated via first-principles simulations. Chain configurations are predicted to …
surface are investigated via first-principles simulations. Chain configurations are predicted to …
Tuning palladium nickel phosphide toward efficient oxygen evolution performance
Highly efficient and durable catalysts are increasingly sought in water electrolysis,
particularly for resolving the sluggish oxygen evolution reaction (OER) kinetics. Herein …
particularly for resolving the sluggish oxygen evolution reaction (OER) kinetics. Herein …
A “one-pot” route for the synthesis of snowflake-like Dendritic CoNi alloy-reduced graphene oxide-based multifunctional nanocomposites: An efficient magnetically …
In this paper, a simple “one pot” methodology to synthesize snowflake-like dendritic CoNi
alloy-reduced graphene oxide (RGO) nanocomposites has been reported. First-principles …
alloy-reduced graphene oxide (RGO) nanocomposites has been reported. First-principles …