(218a) Rational Design of Alloyed Materials for Engergy Conversion
- Conference: AIChE Annual Meeting
- Year: 2017
- Proceeding: 2017 Annual Meeting
- Group: Computational Molecular Science and Engineering Forum
Monday, October 30, 2017 - 3:15pm-3:30pm
Given the crucial role of catalysis science to our society, understanding of how to design catalyst structure for desired catalytic activity and selectivity becomes a grand challenge. Alloyed materials provide extra degrees of freedom for tuning. Two examples about a) metalic nanoparticles and b) oxides will be given in the talk to show how first principal computations can help develop a fundamental and detailed understanding of the relationship between the structure of nanoscopic catalyst and their function to provide a general guideline for designing efficient Hetero-structured catalysts with less loading of noble metal and improved stability.
This paper has an Extended Abstract file available; you must purchase the conference proceedings to access it.
Do you already own this?
Log In for instructions on accessing this content.
|AIChE Graduate Student Members||Free|
|AIChE Undergraduate Student Members||Free|