Theoretical insights into the promotion effect of subsurface boron for the selective hydrogenation of CO to methanol over Pd catalysts
Author:
Affiliation:
1. School of Physical Science and Technology
2. ShanghaiTech University
3. Shanghai 201210
4. China
Abstract
CO hydrogenation to methanol and methane on both Pd(211) and subsurface boron-modified Pd(211) are studied based on density functional theory calculations.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP02735K
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