Experimental and Quantum Chemical Approaches to Develop Highly Selective Nanocatalysts for CO2 -free Power Circulation

Chem Rec. 2016 Oct;16(5):2249-2259. doi: 10.1002/tcr.201600047. Epub 2016 Jun 16.

Abstract

Renewable electricity must be utilized to usefully suppress the atmospheric CO2 concentration and slow the progression of global warming. We have thus proposed a new concept involving CO2 -free electric power circulation systems via highly selective electrochemical reactions of alcohol/carboxylic acid redox couples. Design concepts for nanocatalysts able to catalyze highly selective electrochemical reactions are provided from both experimental and quantum mechanical perspectives.

Keywords: Fe-group nanoalloys; carbon-neutral; density functional calculations; electrocatalysts; titanium.

Publication types

  • Research Support, Non-U.S. Gov't