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P-thiocresol 吸附在银纳米粒子表面系统的表面增强拉曼散射和表面增强共振拉曼散射的增强研究
  • ISSN号：1000-0364
  • 期刊名称：《原子与分子物理学报》
  • 时间：0
  • 分类：O[理学]
  • 作者机构：[1]大连理工大学物理与光电工程学院,高科技研究院,大连116024, [2]中国科学院北京物理所凝聚态物理国家实验室,北京100190, [3]东北大学化学系,沈阳110004
  • 相关基金：This work was supported by the National Natural Science Foundation of China （No.10604012, No.10974023, No.10874234, No.20703064, No.90923003）, the National Basic Research Project of China （No.2009CB930Y01）, and the Fundamental Research Funds for the Central Universities （No.DUT10LK03）.
作者： 万松博[1,2,3], 沈岩[3], 段建民[4], 陈茂笃[4], 贾瑜[1]
关键词： 表面增强拉曼散射, 1, 4-苯二硫醇分子, 表面增强共振拉曼散射, 电荷转移, Surface-enhanced Raman scattering, 1,4-Benzenedithiol molecule, Surfaceenhanced resonance Raman scattering, Charge transfer
中文摘要：

利用密度泛函和含时密度泛函理论方法研究了1，4-苯二硫醇分子在两个金团簇之间的表面增强拉曼散射及表面增强共振拉曼散射光谱．采用对应四种不同形式的电荷转移激发态能量的入射光，计算了表面增强共振拉曼光谱．结果显示，光谱增强的效果与电荷转移的形式密切相关．不同的电荷转移形式对增强因子的贡献是有差异的．

英文摘要：

Surface-enhanced Raman scattering （SERS） and surface-enhanced resonance Raman scattering （SERRS） spectra of the 1,4-benzenedithiol molecule in the junction of two Au3 clusters have been calculated using density functional theory （DFT） and time-dependent DFT method. In order to investigate the contribution of charge transfer （CT） enhancement, the wavelengths of incident light are chosen to be at resonance with four representative excited states, which correspond to CT in four different forms. Compared with SERS spectrum, SERRS spectra are enhanced enormously with distinct enhancement factors, which can be attributed to CT resonance in different forms.

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期刊信息
  • 《原子与分子物理学报》
  • 北大核心期刊（2011版）
  • 主管单位:四川省科学技术协会
  • 主办单位:中国物理学会 原子与分子物理专业委员会 四川省物理学会 四川大学
  • 主编：芶清泉
  • 地址：成都市一环路南一段24号
  • 邮编：610065
  • 邮箱：yzyf@chinajournal.net.cn
  • 电话：028-85405516
  • 国际标准刊号：ISSN：1000-0364
  • 国内统一刊号：ISSN：51-1199/O4
  • 邮发代号:62-54
  • 获奖情况:
  • 四川省高等学校优秀期刊,四川省科技期刊优秀期刊
  • 国内外数据库收录:
  • 美国化学文摘（网络版）,日本日本科学技术振兴机构数据库,中国北大核心期刊（2004版）,中国北大核心期刊（2008版）,中国北大核心期刊（2011版）,中国北大核心期刊（2014版）,英国英国皇家化学学会文摘,中国北大核心期刊（2000版）
  • 被引量:4084