A computational study on the tunability of woven covalent organic frameworks for photocatalysis-Reference-Cited by-同舟云学术

A computational study on the tunability of woven covalent organic frameworks for photocatalysis

Published:2019 Issue:2 Volume:21 Page:546-553
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Chen Ke¹²³⁴⁵,Yang Li¹²³⁴⁵,Wu Ziye¹²³⁴⁵,Chen Changlun⁶⁷⁸⁴⁵^ORCID,Jiang Jun¹²³⁴⁵^ORCID,Zhang Guozhen¹²³⁴⁵^ORCID

Affiliation:

1. School of Chemistry and Materials Science

2. Hefei National Laboratory for Physical Sciences at the Microscale

3. University of Science and Technology of China (USTC)

4. Hefei

5. China

6. CAS Key Laboratory of Photovoltaic and Energy Conservation Materials

7. Institute of Plasma Physics

8. Chinese Academy of Sciences

Abstract

We show that the visible light absorption of COF-505 is tunable via altering central metal ions or the dihedral angle between two adjacent ligand groups by first-principles calculations. We also found that positively charged COF-505 with Pd(ii) exhibits appreciable O–H activation of the adsorbed H₂O.

Funder

National Natural Science Foundation of China

Chinese Academy of Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP04373F

Reference47 articles.

1. Sulfur-doped covalent triazine-based frameworks for enhanced photocatalytic hydrogen evolution from water under visible light

2. A Squaraine-Linked Mesoporous Covalent Organic Framework