Abstract
In this work, molecular dynamics simulation was used to investigate the deposition process of a gold nanocluster on rutile TiO2(110) surface. The effects of surface defects (i.e., point step, and groove) were examined in terms of interaction energy, morphology and structure. It was found that the gold nanocluster can be strongly attracted to rutile TiO2(110) surface. Moreover, a higher degree of defect results in a stronger attractive interaction between gold nanocluster and TiO2(110) surface. The simulated results also indicated that the stability of gold nanoclusters can be effectively controlled by adding citrate ions, which could lead to a high catalytic activity of gold/metal oxide catalysts.
| Original language | English |
|---|---|
| Title of host publication | Advanced Materials Research |
| Subtitle of host publication | Materials Processing Technology, ICAMMP2011 |
| Editors | Zhengyi Jiang, Xianghua Liu, Jingtao Han |
| Place of Publication | Stafa-Zurich Switzerland |
| Publisher | Trans Tech Publications |
| Pages | 870 - 875 |
| Number of pages | 6 |
| Volume | 418-420 |
| ISBN (Print) | 9783037853269 |
| DOIs | |
| Publication status | Published - 2012 |
| Externally published | Yes |
| Event | International Conference on Advances in Materials and Manufacturing Processes (ICAMMP 2011) - Guilin, China Duration: 16 Dec 2011 → 18 Dec 2011 Conference number: 2nd http://International Conference on Advances in Materials and Manufacturing Processes (ICAMMP 2012) |
Conference
| Conference | International Conference on Advances in Materials and Manufacturing Processes (ICAMMP 2011) |
|---|---|
| Abbreviated title | ICAMMP 2011 |
| Country/Territory | China |
| City | Guilin |
| Period | 16/12/11 → 18/12/11 |
| Internet address |