教師資料查詢 | 類別: 期刊論文 | 教師: 李明憲 LEE, MING-HSIEN (瀏覽個人網頁)

標題:Resolution of an Ancient Surface Science Anomaly: Work Function Change Induced by N Adsorption on W{100}
學年91
學期2
出版(發表)日期2003/06/01
作品名稱Resolution of an Ancient Surface Science Anomaly: Work Function Change Induced by N Adsorption on W{100}
作品名稱(其他語言)
著者Michaelides, A.; Hu, P.; Lee, Ming-Hsien; Alavi, A.; King, D.-A.
單位淡江大學物理學系
出版者College Park: American Physical Society
著錄名稱、卷期、頁數Physical Review Letters 90(24), 246103(4 pages)
摘要For many decades it has been assumed that an adsorbate centered above a metal surface and with a net negative charge should increase the work function of the surface. However, despite their electronegativity, N adatoms on Wf100g cause a significant work function decrease. Here we present a resolution of this anomaly. Using density functional theory, we demonstrate that while the N atom carries a negative charge, of overriding importance is a reduction in the surface overspill electron density into the vacuum, when that charge is engaged in bonding to the adatom. This novel interpretation is fundamentally important in the general understanding of work function changes induced by atomic adsorbates.
關鍵字Adsorption; Atoms; Calculations; Carrier concentration; Chemical bonds; Computer simulation; Low energy electron diffraction; Molecules; Nitrogen; Probability density function; Tungsten; Vacuum; Electronegativity; First principle total energy calculations; Surface science; Work function; Surface chemistry
語言英文
ISSN0031-9007;1079-7114
期刊性質國外
收錄於SCI
產學合作
通訊作者King, D.-A.
審稿制度
國別美國
公開徵稿
出版型式電子版;紙本
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