Early Stages of Ti–O Cluster Growth on Carbon Nanotubes by ab Initio Calculations

2013 ◽  
Vol 117 (40) ◽  
pp. 10397-10406 ◽  
Author(s):  
M. A. Gialampouki ◽  
Ch. E. Lekka
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Cluster Growth ◽  
Early Stages

Modelling Early Stages in the Formation of Cluster-Assembled Materials

1990 ◽  
Vol 206 ◽  
Author(s):  
Christian Schön ◽  
Peter Salamon
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Surface Area ◽  
Cross Section ◽  
Effective Cross Section ◽  
Sintering Process ◽  
Early Stages ◽  
Cluster Behavior

ABSTRACTThe formation of cluster-assembled materials using the sintering process is investigated. We present a model that describes the initial stages exactly using information derived from ab initio calculations of cluster behavior. Surface area, effective cross section and density of the cluster-assembled material, are calculated as functions of time for several implementations of the model.

scholarly journals Ab-initio calculations for a realistic sensor: A study of CO sensors based on nitrogen-rich carbon nanotubes

AIP Advances ◽  
2012 ◽  
Vol 2 (3) ◽  
pp. 032115 ◽  
Author(s):  
A. M. Souza ◽  
A. R. Rocha ◽  
A. Fazzio ◽  
A. J. R. da Silva
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio Calculations ◽  
Ab Initio

Modeling of DNA Base Interactions with Carbon Nanotubes: ab initio Calculations and SEIRA Data

2009 ◽  
Author(s):  
Galina Dovbeshko ◽  
Lilia M. Woods ◽  
Yaroslav Shtogun ◽  
Olena Fesenko ◽  
George Maroulis ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Dna Base
Sign in / Sign up

Export Citation Format

Share Document