http://chineseinput.net/에서 pinyin(병음)방식으로 중국어를 변환할 수 있습니다.
변환된 중국어를 복사하여 사용하시면 됩니다.
Investigations of Vacancy Structures Related to Their Growth in <i>h</i> -BN Sheet
Ryou, Junga,Park, Jinwoo,Hong, Suklyun SPRINGER SCIENCE + BUSINESS MEDIA 2017 NANOSCALE RESEARCH LETTERS Vol.12 No.1
<P>The atomic, electronic, and magnetic properties of vacancy structures with triangular shape related to their growth in single hexagonal boron nitride (<I>h</I>-BN) sheet are investigated using density functional theory calculations. We find that the optimized structures of triangular vacancies depend on the vacancy sizes with N-terminated zigzag edge. Then, vacancy structures obtained during the vacancy evolution in <I>h</I>-BN sheet are considered by removing a boron-nitrogen pair (BN pair) from edges of triangular vacancies. The magnetic properties of those vacancy structures are investigated by local density of states and spin densities. It is found that the stability of the optimized structures with a BN missing pair depends on the BN-pair missing position: the most stable structure is a BN-pair missing structure at the edge face region with the smallest magnetic moment.</P>
Edge-functionalization of armchair graphene nanoribbons with pentagonal-hexagonal edge structures
Ryou, Junga,Park, Jinwoo,Kim, Gunn,Hong, Suklyun Institute of Physics 2017 Journal of Physics, Condensed Matter Vol.29 No.24
<P>Using density functional theory calculations, we have studied the edge-functionalization of armchair graphene nanoribbons (AGNRs) with pentagonal-hexagonal edge structures. While the AGNRs with pentagonal-hexagonal edge structures (labeled (5,6)-AGNRs) are metallic, the edge-functionalized (5,6)-AGNRs with substitutional atoms opens a band gap. We find that the band structures of edge-functionalized (5,6)-<I>N</I>-AGNRs by substitution resemble those of defect-free (<I>N</I>-1)-AGNR at the Γ point, whereas those at the <I>X</I> point show the original ones of the defect-free <I>N</I>-AGNR. The overall electronic structures of edge-functionalized (5,6)-AGNRs depend on the number of electrons, supplied by substitutional atoms, at the edges of functionalized (5,6)-AGNRs.</P>
Ryu, Gyeong Hee,Park, Hyo Ju,Ryou, Junga,Park, Jinwoo,Lee, Jongyeong,Kim, Gwangwoo,Shin, Hyeon Suk,Bielawski, Christopher W,Ruoff, Rodney S,Hong, Suklyun,Lee, Zonghoon RSC Pub 2015 Nanoscale Vol.7 No.24
<P>The production of holes by electron beam irradiation in hexagonal boron nitride (hBN), which has a lattice similar to that of graphene, is monitored over time using atomic resolution transmission electron microscopy. The holes appear to be initiated by the formation of a vacancy of boron and grow in a manner that retains an overall triangular shape. The hole growth process involves the formation of single chains of B and N atoms and is accompanied by the ejection of atoms and bundles of atoms along the hole edges, as well as atom migration. These observations are compared to density functional theory calculations and molecular dynamics simulations.</P>
Graphitic Carbon Growth on MgO(100) by Molecular BeamEpitaxy
Jerng, S. K.,Lee, J. H.,Yu, D. S.,Kim, Y. S.,Ryou, Junga,Hong, Suklyun,Kim, C.,Yoon, S.,Chun, S. H. American Chemical Society 2012 JOURNAL OF PHYSICAL CHEMISTRY C - Vol.116 No.13
<P>Direct graphene growth on insulating substrates is of great importancefor graphene electronics. Limited accomplishments by using molecularbeam epitaxy have been demonstrated on substrates of hexagonal symmetry.For comparison and further progress, we study the growth of graphiticcarbon on cubic MgO substrates. Raman spectra clearly show <I>D</I>, <I>G</I>, and 2<I>D</I> peaks, confirmingthe formation of nanocrystalline graphite. The degree of graphitizationis comparable to those of carbon layers grown on hexagonal substrates.X-ray photoelectron spectroscopy proves the dominance of carbon sp<SUP>2</SUP> bonding, and transmission electron microscopy reveals nanometer-scaleclusters directly. The flatness and the homogeneity of graphitic carbonon MgO(100) are also beneficial to potential applications of heterostructurescontaining graphitic carbon. First-principles calculations elucidatethat the strong carbon–oxygen interaction limits the in-planecoherence length.</P><P><B>Graphic Abstract</B> <IMG SRC='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jpccck/2012/jpccck.2012.116.issue-13/jp210910u/production/images/medium/jp-2011-10910u_0006.gif'></P>