caa a22 4500 606182292 CHVBK 20210128100815.0 cr unu---uuuuu 210128e20150301xx s 000 0 eng 10.1007/s10876-014-0834-x doi (NATIONALLICENCE)springer-10.1007/s10876-014-0834-x The Study on the Medium-Sized Carbon Islands on Ru(0001) Surface [Elektronische Daten] [Junfeng Gao, Feng Ding] During chemical vapor deposition (CVD) growth of graphene on Ru(0001) surface, a specific C cluster, which has 13 C atoms arranged as three connected hexagons (so called 3-C6), was supposed to be extremely stable. To verify this, we systemically explored the stabilities of carbon clusters CN (N=12, 13, 14) on the Ru(0001) surface by using first principle approach. While, it is surprising that neither 3-C6 is the ground state of C13 nor the C13 cluster shows exceptional stability. So, based on the experimental STM image with C3v symmetry and a dimmer of 1nm, the magic cluster was proposed as C21 or C21-3C, which have the same core composed of six hexagons and three pentagons, as that studied before. This study is helpful to resolve the debate on the dominating clusters observed during graphene CVD growth and is helpful for understanding the growth mechanism of graphene CVD growth. Springer Science+Business Media New York, 2015 Graphene nationallicence Supported clusters nationallicence Chemical vapor deposition nationallicence Density functional theory nationallicence Gao Junfeng Beijing Computational Science Research Center, 100084, Beijing, China aut Ding Feng Beijing Computational Science Research Center, 100084, Beijing, China aut Journal of Cluster Science Springer US; http://www.springer-ny.com 26/2(2015-03-01), 347-360 1040-7278 26:2<347 2015 26 10876 https://doi.org/10.1007/s10876-014-0834-x text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 research-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1007/s10876-014-0834-x text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Gao Junfeng Beijing Computational Science Research Center, 100084, Beijing, China aut NATIONALLICENCE 700 1- Ding Feng Beijing Computational Science Research Center, 100084, Beijing, China aut NATIONALLICENCE 773 0- Journal of Cluster Science Springer US; http://www.springer-ny.com 26/2(2015-03-01), 347-360 1040-7278 26:2<347 2015 26 10876