材料导报
材料導報
재료도보
MATERIALS REVIEW
2009年
22期
74-79
,共6页
表面应力%分子间作用力%阴离子吸附%格子气模型
錶麵應力%分子間作用力%陰離子吸附%格子氣模型
표면응력%분자간작용력%음리자흡부%격자기모형
surface stress%intermolecular interaction energy%anion adsorption%lattice gas model
以Br~-为例,应用格子气模型,建立了阴离子吸附层对Au(111)电极表面应力贡献的统计热力学理论,计算了吸附层Br~-间的相互作用能及表面应力的贡献.计算结果表明,总的表面应力是压缩性的;在高覆盖度区域,表面应力与覆盖度近似呈直线关系;在表面吸附层应力的多种物理起源中,通过底物的分子间作用力有着决定性的贡献,揭示了分子的吸附能间接地起着重要作用.
以Br~-為例,應用格子氣模型,建立瞭陰離子吸附層對Au(111)電極錶麵應力貢獻的統計熱力學理論,計算瞭吸附層Br~-間的相互作用能及錶麵應力的貢獻.計算結果錶明,總的錶麵應力是壓縮性的;在高覆蓋度區域,錶麵應力與覆蓋度近似呈直線關繫;在錶麵吸附層應力的多種物理起源中,通過底物的分子間作用力有著決定性的貢獻,揭示瞭分子的吸附能間接地起著重要作用.
이Br~-위례,응용격자기모형,건립료음리자흡부층대Au(111)전겁표면응력공헌적통계열역학이론,계산료흡부층Br~-간적상호작용능급표면응력적공헌.계산결과표명,총적표면응력시압축성적;재고복개도구역,표면응력여복개도근사정직선관계;재표면흡부층응력적다충물리기원중,통과저물적분자간작용력유착결정성적공헌,게시료분자적흡부능간접지기착중요작용.
Taking Br~- as an example, the statistical thermodynamic theory of surface stress of anion adsorption monolayer on Au(111) has been established using the lattice gas model The effective pair interaction energy and the surface stress in Br~- adsorption layer at the Au(111) electrode surface have been calculated. The calculated results indicate that the surface stress in Br~- adsorption layer at the Au(111) electrode is compressive. At high coverage, the surface stress increased linearly with coverage. Among various components of the adsorbate-adsorhate interaction energies in the adsorption layer, the substrate-mediated interaction is significant for the adsorbate-induced surface stress, which shows that indirect contribution of the adsorption energy of Br~- through the substrate-mediated interaction is very important.
