周培源物理奖获奖报告课件.ppt

;;;;Hydrophilic and hydrophobic behavior of surface (孟胜);凹越喧既静潮粱氰往往增于氓酚壕饲啸瘴捏呵败憎爸绷繁诉盖勃澜谚舞顶周培源物理奖获奖报告课件周培源物理奖获奖报告课件;Eads: the adsorption energy per molecule Eads= (Emetal + n ? EH2O - E(H2O)n/Metal)/ n Here E (H2O)n/Metal is the total energy of the adsorption system, Emetal and EH2O are those for free a surface and a free molecule, respectively, and n is the number of water in the unitcell. ;EHB: the strength of H-bond EHB= (Eads?n - Eads[monomer] ? NM-H2O)/ NHB, for clusters and 1 BL; or (Eads[m BL]?2m - Eads[(m-1) BL] ? 2(m-1))/ 4, for m BL, m? 1. Here Eads[monomer] and NM-H2O are the adsorption energy of monomer and the number of molecule-surface bonds in the water structures; and Eads[m BL] is the adsorption energy for m bilayers. ;Gold and Platinum in Periodic Table;Hydrophilic vs. Hydrophobic;Charge Densities;Wetting order;;Motivation ;Adsorbed monomer and dimer;Monolayer water adsorption; ;free dimer;Calculated Vibrational Spectrum (OH bond);Fortunately ……;Chemical Physics Letters 386 (2004) 144-148; Dissolution of NaCl in Water (杨勇);;Role of water dissolution pathway; Site and orientation selection in the early stage of dissolution: corner sites, [111] direction.;Hydration structures;马旭村 白雪冬 张广宇(Stanford) 于 杰 支春义(NIMS) 刘 双 钟定永(Muenster) 徐贵昌 郭建东(ORNL) 吴克辉 吴 静(Maryland) 高世武 李茂枝(Ames Lab) 姚玉贵 朱文光(Harvard) 刘邦贵 孟 胜(Harvard) 徐力方 杨建君 张立新 杨 勇