ITuyển tập báo cáo các nghiên cứu khoa học quốc tế ngành hóa học dành cho các bạn yêu hóa học tham khảo đề tài: nfluences of H on the Adsorption of a Single Ag Atom on Si(111)-7 3 7 Surface | Nanoscale Res Lett 2010 5 143-148 DOI s11671-009-9456-x NANO EXPRESS Influences of H on the Adsorption of a Single Ag Atom on Si 111 -7 X 7 Surface Xiu-Zhu Lin Jing Li Qi-Hui Wu Received 20 July 2009 Accepted 26 September 2009 Published online 13 October 2009 to the authors 2009 Abstract The adsorption of a single Ag atom on both clear Si 111 -7 X 7 and 19 hydrogen terminated Si 111 -7 X 7 hereafter referred as 19H-Si 111 -7 X 7 surfaces has been investigated using first-principles calculations. The results indicated that the pre-adsorbed H on Si surface altered the surface electronic properties of Si and influenced the adsorption properties of Ag atom on the H terminated Si surface . adsorption site and bonding properties . Difference charge density data indicated that covalent bond is formed between adsorbed Ag and H atoms on 19H-Si 111 -7 X 7 surface which increases the adsorption energy of Ag atom on Si surface. Keywords Si 111 H adsorption Ag adsorption First-principles calculations Introduction Due to both scientific and technological interest the metal semiconductor M S interfaces have attracted much attention in order to further advance semiconductor devices and technologies. The current success of the micro- and . Lin J. Li . Wu Department of Physics Xiamen University 361005 Xiamen China J. Li Pen-Tung Sah MEMS Research Center Xiamen University 361005 Xiamen China e-mail lijing@ . Wu Department of Physics La Trobe University Bundoora VIC 3086 Australia e-mail nano-electronics is made possible by the improvements in the controlled growth of thin layers of semiconductors metals and dielectrics. The further development of micro-and nano-electronic device technology requires detailed knowledge of the M S contact formation and thus places new demands on the M S interfaces. The development of smaller and more complex devices is based on the ability to control these structures down to the atomic level. In this
