Electronic Mechanism of Ag-Cluster Formation in AgBr and AgI

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概要

• 論文の詳細を見る

• XVe have carried ottt first principles tnolecttlar orbital calctrlations on an interstitial Ag in AgBrand Agl, trsing tlae discrete vatriational (DV)-Xa taaethod, Althottglr AgBr and Agl are consideredto be ionic coraapovxnds, Ag-4d orbitals are xvell adraaixed with anion-p orbitals in tlaeir valenceband. In tlae presence of an interstiti?tl Ag (Agj), an interstitial level aj.>pears xvithin the bandgap. Tlae interstitial orbital is fotrnd to be zaaore delocalized atrotrnd the Agn in AgBr tlaan inAc'l. As a restzlt. the interstitial level in Ao-Br reinforces the A'j-A" covalent bond. The Ao'j-Aab/b<)bbbcovalent bond in AgBr is strouager than any other cox'alent bonds arotrnd the Agn. On tl'ne otherhatud, the Agj-Ag covalent bot'rd in Agl is rntrcl'x 'xveaker tlxan the Ag-I bond at norna?tl sites.Since the forrnation of strong Agi-Ag bortd is essential f'or the agglottaeration of Ag attoraas, 2tl'lAg cltrster can be forttaed easier in AgBr tltarn in Agl.

• 社団法人日本物理学会の論文
• 1998-06-15

著者

• TANAKA Isao

  Department of materials science and engineering, Kyoto University

• ADACHI Hirohiko

  Department of materials science and engineering, Kyoto University

• Tanaka Isao

  Department Of Materials Science And Engineering Kyoto University

• Tanaka I

  Division Of Biological Science Graduate School Of Science Hokkaido University

• Adachi H

  Kyoto Univ. Kyoto

• Adachi Hirohiko

  Department Of Material Science And Engineering Kyoto University

• Matsunaga Katsuyuki

  Department Of Materials Science And Engineering Kyoto University

• Adachi H

  Department Of Physics Kyoto University

• Adachi H

  Central Research Laboratories Matsushita Electric Ind. Co.

• Matsunaga K

  Kyoto Univ. Kyoto Jpn

• Tanaka I

  Fukui Prefecture Agricultural Experiment Station Fukui Jpn

• Adachi Hirohiko

  Department Of Chemistry Hyogo University Of Teacher Education

• Tanaka Isao

  Department Of Internal Medicine Suzuka Kaisei Hospital

• Adachi Hirohiko

  Department of Materials Science and Engineering,Kyoto University

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