Silver Makes Better Electrical Contacts to Thiol-Terminated Silanes than Gold

Li, Haixing and Su, Timothy A. and Camarasa-Gomez, Maria and Hernangomez-Perez, Daniel and Henn, Simon E. and Pokorny, Vladislav and Caniglia, Caravaggio D. and Inkpen, Michael S. and Korytar, Richard and Steigerwald, Michael L. and Nuckolls, Colin and Evers, Ferdinand and Venkataraman, Latha (2017) Silver Makes Better Electrical Contacts to Thiol-Terminated Silanes than Gold. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 56 (45). pp. 14145-14148. ISSN 1433-7851, 1521-3773

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Abstract

We report that the single-molecule junction conductance of thiol-terminated silanes with Ag electrodes are higher than the conductance of those formed with Au electrodes. These results are in contrast to the trends in the metal work function Phi(Ag)< Phi(Au). As such, a better alignment of the Au Fermi level to the molecular orbital of silane that mediates charge transport would be expected. This conductance trend is reversed when we replace the thiols with amines, highlighting the impact of metal-S covalent and metal-NH2 dative bonds in controlling the molecular conductance. Density functional theory calculations elucidate the crucial role of the chemical linkers in determining the level alignment when molecules are attached to different metal contacts. We also demonstrate that conductance of thiol-terminated silanes with Pt electrodes is lower than the ones formed with Au and Ag electrodes, again in contrast to the trends in the metal work-functions.

Item Type: Article
Uncontrolled Keywords: LITHIUM-SULFUR BATTERIES; LI-S BATTERIES; CATHODE MATERIALS; HOST MATERIALS; SELENIUM; PERFORMANCE; POLYSULFIDES; COMPOSITES; CHEMISTRY; MECHANISM; metal-molecule interactions; silanes; silver; platinum; single-molecule electronics
Subjects: 500 Science > 530 Physics
Divisions: Physics > Institute of Theroretical Physics > Chair Professor Grifoni > Group Ferdinand Evers
Depositing User: Dr. Gernot Deinzer
Date Deposited: 14 Dec 2018 13:19
Last Modified: 11 Feb 2019 15:05
URI: https://pred.uni-regensburg.de/id/eprint/1865

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