Title

Silicene catalyzed reduction of nitrobenzene to aniline: A mechanistic study

Document Type

Article

Publication Date

3-2018

Journal Title

Chemical Physics Letters

Volume

695

Abstract

The reduction of nitrobenzene to aniline has broad applications in chemical and pharmaceutical industries. The high reaction temperatures and pressures and unavoidable hazardous chemicals of current metal catalysts call for more environmentally friendly non-metal catalysts. In this study, the plausibility of silicene as a potential catalyst for nitrobenzene reduction is investigated with a focus on the distinct reaction mechanism based on the density functional theory.

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