@inproceedings{0fccb9b46bda4f17a7aa5bbbbcf928da,
title = "Molecular dynamics simulation of Au-TiO 2 catalysts : deposition of gold nanoclusters on rutile (110) surface",
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.",
keywords = "citrate ions, deposition, gold nanocluster, molecular dynamics, oxide minerals, titanium dioxide",
author = "Qinghua Zeng and Kenneth Wong and Aibing Yu",
year = "2011",
doi = "10.4028/www.scientific.net/AMR.418-420.870",
language = "English",
isbn = "9783037853269",
publisher = "Trans Tech Publications",
pages = "870--875",
booktitle = "Materials Processing Technology, ICAMMP2011: Selected, Peer Reviewed Papers from the Second International Conference on Advances in Materials and Manufacturing Processes (ICAMMP 2011), December 16-18, 2011, Guilin, China",
note = "International Conference on Advances in Materials and Manufacturing Processes ; Conference date: 01-01-2011",
}