Adsorption of phenanthroline and its derivatives on Au (111) surface - Influence of substitution on structure and electronic properties

Published: 23 March 2020| Version 1 | DOI: 10.17632/7x26dr49pb.1
Contributor:
K. Senthilkumar

Description

Presented data includes output files corresponding to structure optimisation of the systems dealt in the article. Refer the articles to understand the nomenclature and configuration.

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Institutions

  • Bharathiar University School of Physical Sciences

Categories

Density Functional Theory

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