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Computational Design of Catalysts for Clean Energy Conversion and Storage
Author(s) -
Guoping Gao
Publication year - 2017
Language(s) - English
Resource type - Dissertations/theses
DOI - 10.5204/thesis.eprints.109443
Subject(s) - catalysis , process engineering , clean energy , scale (ratio) , biochemical engineering , energy transformation , environmental science , nanotechnology , computer science , engineering , materials science , chemistry , environmental engineering , physics , thermodynamics , organic chemistry , quantum mechanics
This project focuses on the computational design of novel catalyst for artificial synthesis: converting sunlight into fuels. With the atomic-scale insight of catalysts obtained by theoretical calculations, many efficient and optimum catalysts for these processes have been designed and engineered. The outcomes of this thesis are expected to provide theoretical solutions for current global energy and environmental challenges

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