✦ LIBER ✦

Quantum chemistry studies on electronic properties of CN− adsorbed on silver electrodes

✍ Scribed by W.F. Lin; Z.Q. Tian; S.G. Sun; Z.W. Tian

Publisher: Elsevier Science
Year: 1992
Tongue: English
Weight: 334 KB
Volume: 37
Category: Article
ISSN: 0013-4686
DOI: 10.1016/0013-4686(92)85005-6

No coin nor oath required. For personal study only.

✦ Synopsis

The electronic properties of CN-adsorbed on Ag electrodes at different potentials have been studied by using the method of self-consistent-charge discrete variational Xu (SCC-DV-Xa) cluster calculations. It is shown that the binding of -NC-Ag is dominated by both electrostatic and Polarization effects derived from the charge of CN-, and that the transfer of o charge from CN-to silver is the largest donation contribution. The electrode potential influences this charge transfer process and the interaction between CN-adsorbate and silver electrode. The results of quantum chemistry calculations fit well,with the experimental data of in situ spectroscopic studies on the CN-/Ag electrode systems.

📜 SIMILAR VOLUMES

Quantum chemistry and in situ FTir spect

Quantum chemistry and in situ FTir spectroscopy studies on potential-dependent properties of CO adsorbed on Pt electrodes

✍ Wen-Feng Lin; Shi-Gang Sun; Zhong-Qun Tian; Zhao-Wu Tian 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 722 KB

The electronic and vibrational properties of CO adsorbed on Pt electrodes at different potentials have been studied, by using methods of self-consistent-charge discrete variational Xa (SCC-DV-Xa) cluster calculations and in situ FTir spectroscopy. Two new models have been developed and verified to b

Vibrational properties of CN− adsorbed o

Vibrational properties of CN− adsorbed on platinum and silver: ab initio MCSCF calculations compared with SFG experiments

✍ M. Tadjeddine; J.P. Flament; A. Tadjeddine 📂 Article 📅 1996 🏛 Elsevier 🌐 English ⚖ 535 KB

Topological and Electron-Transfer Proper

Topological and Electron-Transfer Properties of Yeast Cytochrome c Adsorbed on Bare Gold Electrodes

✍ Beatrice Bonanni; Dario Alliata; Anna Rita Bizzarri; Salvatore Cannistraro 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 169 KB

Electronic properties of a monolayer of

Electronic properties of a monolayer of lead deposited on a silver single crystal electrode

✍ Ezequiel Leiva; Wolfgang Schmickler 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 305 KB

The density functional formahsm was used to Investigate the electromc propert~ea of a monolayer of lead deposlted on a Ag(ll1) electrode Both the lmcar and the non&ear response of the surface electrons to an electrostatic field have been calculated The presence of a monolayer of lead IS expected to

Electronic Properties of Two Series of B

Electronic Properties of Two Series of Blue-Emitting Conjugated Oligomers and Polymers Based on Cyanostilbene: A Quantum Chemistry Study

✍ Li YANG; Ji-Kang FENG; Ai-Min REN 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 172 KB 👁 2 views

IR spectroscopic study of adsorbed speci

IR spectroscopic study of adsorbed species formed on electrodes during the Fe(CN)3−4−6 charge transfer reaction

✍ Kazuaki Niwa; Karl Doblhofer 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 530 KB

Infrared retlection-abso,rption spectra (IRAS) were taken from Au and Pt electrode surfaces which had been emersed from electrolytes containing the redox system Fe(CI@-W. The IRAS results show that the coverage of the electrodes with redox ions is smaller than has been suggested in the literature; s