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 en
ISSN 0031-9007 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 是
國別 USA
公開徵稿
出版型式 電子版 紙本
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