Bandgaps of noble and transition metal/ZIF-8 electro/catalysts: a computational study
Author:
Affiliation:
1. Chemical Engineering Department
2. Amirkabir University of Technology (Tehran Polytechnic)
3. Mahshahr Campus
4. Mahshahr
5. Iran
6. Surface Reaction and Advanced Energy Materials Laboratory
7. Tehran
Abstract
Band gap estimation for metal/ZIF-8 framework electro/catalysts by hybrid DFT and machine learning technique.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2020/RA/D0RA02943B
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