Abstract
This paper used molecular dynamics (MD) simulations to investigate influences of cone arrangements (including the cone orientation, arrangement pattern and cone spacing) on hydrogen adsorption of open-tip carbon nanocone (CNC) arrays at temperatures of 100 and 300 K. To consider curvature effects for the cone structure of the CNCs, the curvature-modified Lennard-Jones potential parameters were adopted to describe the interactions between the hydrogen and carbon atoms. It was found that the cone orientation (aligned, opposite, and alternate) does not have obvious influences on hydrogen adsorption of the CNC arrays. The arrangement pattern (square and triangular), however, had significant influences on the hydrogen adsorption. The square-patterned CNC array was noticed to have higher storage weight percentage than the triangular-patterned one. Regarding to the influences of cone spacing, the storage weight percentage grew with the increase of the cone spacing and arrived at a stable value as the cone spacing reached a certain critical value. The influences cone arrangements could be ascribed to repulsive effects, which are evident as cone spacing become narrow.
| Original language | English |
|---|---|
| Title of host publication | Materials, Industrial, and Manufacturing Engineering Research Advances 1.1 |
| Pages | 345-349 |
| Number of pages | 5 |
| DOIs | |
| Publication status | Published - 2014 Jan 7 |
| Event | 1st International Materials, Industrial, and Manufacturing Engineering Conference, MIMEC 2013 - Johor Bahru, Malaysia Duration: 2013 Dec 4 → 2013 Dec 6 |
Publication series
| Name | Advanced Materials Research |
|---|---|
| Volume | 845 |
| ISSN (Print) | 1022-6680 |
Other
| Other | 1st International Materials, Industrial, and Manufacturing Engineering Conference, MIMEC 2013 |
|---|---|
| Country | Malaysia |
| City | Johor Bahru |
| Period | 13-12-04 → 13-12-06 |
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All Science Journal Classification (ASJC) codes
- Engineering(all)
Cite this
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Hydrogen adsorption of carbon nanocone arrays : Influences of cone arrangements. / Chang, I-Ling; Liao, Ming Liang; Chuang, Chi Hsiang.
Materials, Industrial, and Manufacturing Engineering Research Advances 1.1. 2014. p. 345-349 (Advanced Materials Research; Vol. 845).Research output: Chapter in Book/Report/Conference proceeding › Conference contribution
TY - GEN
T1 - Hydrogen adsorption of carbon nanocone arrays
T2 - Influences of cone arrangements
AU - Chang, I-Ling
AU - Liao, Ming Liang
AU - Chuang, Chi Hsiang
PY - 2014/1/7
Y1 - 2014/1/7
N2 - This paper used molecular dynamics (MD) simulations to investigate influences of cone arrangements (including the cone orientation, arrangement pattern and cone spacing) on hydrogen adsorption of open-tip carbon nanocone (CNC) arrays at temperatures of 100 and 300 K. To consider curvature effects for the cone structure of the CNCs, the curvature-modified Lennard-Jones potential parameters were adopted to describe the interactions between the hydrogen and carbon atoms. It was found that the cone orientation (aligned, opposite, and alternate) does not have obvious influences on hydrogen adsorption of the CNC arrays. The arrangement pattern (square and triangular), however, had significant influences on the hydrogen adsorption. The square-patterned CNC array was noticed to have higher storage weight percentage than the triangular-patterned one. Regarding to the influences of cone spacing, the storage weight percentage grew with the increase of the cone spacing and arrived at a stable value as the cone spacing reached a certain critical value. The influences cone arrangements could be ascribed to repulsive effects, which are evident as cone spacing become narrow.
AB - This paper used molecular dynamics (MD) simulations to investigate influences of cone arrangements (including the cone orientation, arrangement pattern and cone spacing) on hydrogen adsorption of open-tip carbon nanocone (CNC) arrays at temperatures of 100 and 300 K. To consider curvature effects for the cone structure of the CNCs, the curvature-modified Lennard-Jones potential parameters were adopted to describe the interactions between the hydrogen and carbon atoms. It was found that the cone orientation (aligned, opposite, and alternate) does not have obvious influences on hydrogen adsorption of the CNC arrays. The arrangement pattern (square and triangular), however, had significant influences on the hydrogen adsorption. The square-patterned CNC array was noticed to have higher storage weight percentage than the triangular-patterned one. Regarding to the influences of cone spacing, the storage weight percentage grew with the increase of the cone spacing and arrived at a stable value as the cone spacing reached a certain critical value. The influences cone arrangements could be ascribed to repulsive effects, which are evident as cone spacing become narrow.
UR - http://www.scopus.com/inward/record.url?scp=84891527213&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84891527213&partnerID=8YFLogxK
U2 - 10.4028/www.scientific.net/AMR.845.345
DO - 10.4028/www.scientific.net/AMR.845.345
M3 - Conference contribution
AN - SCOPUS:84891527213
SN - 9783037859360
T3 - Advanced Materials Research
SP - 345
EP - 349
BT - Materials, Industrial, and Manufacturing Engineering Research Advances 1.1
ER -