Home

Citation: ZOU Bin, LI Zong-Liang, SONG Xiu-Neng, LIU Lan-Feng, WANG Chuan-Kui. Influence of the Distance of Electrodes on the Inelastic Electron Tunneling Spectra of 4,4’-biphenyldithiol Molecular Device[J]. Acta Physico-Chimica Sinica, ;2007, 23(10): 1577-1582. doi: 10.3866/PKU.WHXB20071016 shu

Influence of the Distance of Electrodes on the Inelastic Electron Tunneling Spectra of 4,4’-biphenyldithiol Molecular Device

1.
College of Physics and Electronics, Shandong Normal University, Jinan 250014, P. R. China

Received Date: 14 May 2007
Available Online: 29 August 2007

A first-principle computational method based on the hybrid density functional theory was used to calculate the inelastic electron tunneling spectra (IETS) of 4,4’-biphenyldithiol molecular electronic devices. The influence of distance of electrodes on the IETS was investigated. The molecular geometric structures and the IETS were studied for different distances between two ld electrodes. When the distance of the electrodes changed, the numerical results showed that the IETS had a sensitive variation, which demonstrated that the IETS was a od method to explore microstructure of molecular devices. The vibrational modes with direction perpendicular to the electrode surface gave a great contribution to the IETS.
- Inelastic electron tunneling spectra; Distance of electrodes; Molecular electronics
1. [1]
  Jiali CHEN , Guoxiang ZHAO , Yayu YAN , Wanting XIA , Qiaohong LI , Jian ZHANG . Machine learning exploring the adsorption of electronic gases on zeolite molecular sieves. Chinese Journal of Inorganic Chemistry, 2025, 41(1): 155-164. doi: 10.11862/CJIC.20240408
2. [2]
  Jingwen Wang , Minghao Wu , Xing Zuo , Yaofeng Yuan , Yahao Wang , Xiaoshun Zhou , Jianfeng Yan . Advances in the Application of Electrochemical Regulation in Investigating the Electron Transport Properties of Single-Molecule Junctions. University Chemistry, 2025, 40(3): 291-301. doi: 10.12461/PKU.DXHX202406023
3. [3]
  Chongjing Liu , Yujian Xia , Pengjun Zhang , Shiqiang Wei , Dengfeng Cao , Beibei Sheng , Yongheng Chu , Shuangming Chen , Li Song , Xiaosong Liu . Understanding Solid-Gas and Solid-Liquid Interfaces through Near Ambient Pressure X-Ray Photoelectron Spectroscopy. Acta Physico-Chimica Sinica, 2025, 41(2): 100013-0. doi: 10.3866/PKU.WHXB202309036
4. [4]
  Wenxu Liu , Feng Han , Boxuan Wang , Huayi Liu , Xiaobin Gu , Xin Zhang , Yao Liu . Comprehensive Chemical Experiment: Design, Synthesis, and Photoelectronic Properties Study of Fully Non-Fused Ring Electron Acceptors. University Chemistry, 2025, 40(10): 263-275. doi: 10.12461/PKU.DXHX202412021
5. [5]
  Qi Liang , Xinxin Wang , Xinmiao Zhao , Mohan Yu , Yue Sun . 电子圆二色谱结合量子化学计算的氨基酸手性解析——介绍一个计算化学综合实验. University Chemistry, 2026, 41(5): 380-390. doi: 10.12461/PKU.DXHX202511096
6. [6]
  Tengjiao Wang , Tian Cheng , Rongjun Liu , Zeyi Wang , Yuxuan Qiao , An Wang , Peng Li . Conductive Hydrogel-based Flexible Electronic System: Innovative Experimental Design in Flexible Electronics. University Chemistry, 2024, 39(4): 286-295. doi: 10.3866/PKU.DXHX202309094
7. [7]
  Hongyun Liu , Jiarun Li , Xinyi Li , Zhe Liu , Jiaxuan Li , Cong Xiao . Course Ideological and Political Design of a Comprehensive Chemistry Experiment: Constructing a Visual Molecular Logic System Based on Intelligent Hydrogel Film Electrodes. University Chemistry, 2024, 39(2): 227-233. doi: 10.3866/PKU.DXHX202309070
8. [8]
  Jin Tong , Shuyan Yu . Crystal Engineering for Supramolecular Chirality. University Chemistry, 2024, 39(3): 86-93. doi: 10.3866/PKU.DXHX202308113
9. [9]
  Zihao Guo , Shichen Ma , Kin Shing Chan . 烯烃环化反应中6电子试剂的等瓣相似性和等电子关系. University Chemistry, 2025, 40(6): 160-166. doi: 10.12461/PKU.DXHX202408038
10. [10]
  Yue-Zhou Zhu , Kun Wang , Shi-Sheng Zheng , Hong-Jia Wang , Jin-Chao Dong , Jian-Feng Li . Application and Development of Electrochemical Spectroscopy Methods. Acta Physico-Chimica Sinica, 2024, 40(3): 2304040-0. doi: 10.3866/PKU.WHXB202304040
11. [11]
  Mengfei He , Chao Chen , Yue Tang , Si Meng , Zunfa Wang , Liyu Wang , Jiabao Xing , Xinyu Zhang , Jiahui Huang , Jiangbo Lu , Hongmei Jing , Xiangyu Liu , Hua Xu . Epitaxial Growth of Nonlayered 2D MnTe Nanosheets with Thickness-Tunable Conduction for p-Type Field Effect Transistor and Superior Contact Electrode. Acta Physico-Chimica Sinica, 2025, 41(2): 100016-0. doi: 10.3866/PKU.WHXB202310029
12. [12]
  Jianchuan Wang , Wei Wu , Cunpu Li , Zhaohong Zuo , Luxi Tan . Exploration on the Construction of Polymer Course Groups in Non-Polymer-Related Majors. University Chemistry, 2026, 41(2): 154-160. doi: 10.12461/PKU.DXHX202502095
13. [13]
  Yuping Wei , Yiting Wang , Jialiang Jiang , Jinxuan Deng , Hong Zhang , Xiaofei Ma , Junjie Li . Interdisciplinary Teaching Practice——Flexible Wearable Electronic Skin for Low-Temperature Environments. University Chemistry, 2024, 39(10): 261-270. doi: 10.12461/PKU.DXHX202404007
14. [14]
  Yanan Jiang , Yuchen Ma . Brief Discussion on the Electronic Exchange Interaction in Quantum Chemistry Computations. University Chemistry, 2025, 40(3): 10-15. doi: 10.12461/PKU.DXHX202402058
15. [15]
  Yaqin Zheng , Lian Zhuo , Meng Li , Chunying Rong . Enhancing Understanding of the Electronic Effect of Substituents on Benzene Rings Using Quantum Chemistry Calculations. University Chemistry, 2025, 40(3): 193-198. doi: 10.12461/PKU.DXHX202406119
16. [16]
  Jianchun Wang , Ruyu Xie . The Fantastical Dance of Miss Electron: Contra-Thermodynamic Electrocatalytic Reactions. University Chemistry, 2025, 40(4): 331-339. doi: 10.12461/PKU.DXHX202406082
17. [17]
  Qiwen Chen , Baolei Wang . Research Progress on One-Electron σ-Bond of Organic Compounds. University Chemistry, 2025, 40(11): 191-198. doi: 10.12461/PKU.DXHX202412136
18. [18]
  Weizhe Liu , Minghui Shi , Ruiqi Zhu , Bin Pan , Guofu Huang . 抗癌药物艾乐替尼的生物电子等排体的合成. University Chemistry, 2026, 41(5): 210-221. doi: 10.12461/PKU.DXHX202510066
19. [19]
  Wang Shuang , Fu Xiaoqi , Yao Shanshan . Synergistic optimization of ion migration and electron transfer in sodium-ion battery cathode materials. Acta Physico-Chimica Sinica, 2026, 42(5): 100206-. doi: 10.1016/j.actphy.2025.100206
20. [20]
  Xincan Zhou , Xueyao Wang , Xiaokang Chen , Di Lan , Yuting Gao , Xiaoxia Wang , Daohao Li , Shuchao Zhang , Lijie Zhang , Guanglei Wu . Charge redistribution on Pd mediated by electronically asymmetric carbon for boosting ethanol oxidation. Acta Physico-Chimica Sinica, 2026, 42(7): 100287-. doi: 10.1016/j.actphy.2026.100287

Get Citation

PDF

XML

Metrics

PDF Downloads(2439)
Abstract views(3511)
HTML views(30)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Address：Zhongguancun North First Street 2,100190 Beijing, PR China Tel: +86-010-82449177-888

DownLoad: Full-Size Img PowerPoint

Return